USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 ASN : amide:sc= -0.39 K(o=-0.39,f=0.26) USER MOD Set 2.1: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 56 GLN : amide:sc= -0.197! X(o=-0.2!,f=0.14) USER MOD Set 3.1: A 32 GLN : amide:sc= -1.86! K(o=-0.91!,f=-1.9) USER MOD Set 3.2: A 41 GLN : amide:sc= 0.947 K(o=-0.91,f=-1.9) USER MOD Single : A 38 ASN : amide:sc= 0.663 K(o=0.66,f=-0.0058) USER MOD Single : A 43 ASN : amide:sc= -0.728 K(o=-0.73,f=-4.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= 1.83 (180deg=1.45!) USER MOD Single : A 61 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.14) USER MOD Single : A 64 LYS NZ :NH3+ 136:sc= -0.0308 (180deg=-0.292) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -143:sc= -0.0558 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.2) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= -0.0252 (180deg=-0.22) USER MOD Single : A 89 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.78) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 91 MET CE :methyl -155:sc= -0.132 (180deg=-0.785) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.61) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -94:sc= 0.135 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= 1.21 (180deg=1.01) USER MOD Single : A 106 LYS NZ :NH3+ -107:sc= 0.725 (180deg=-0.898) USER MOD Single : A 108 HIS : no HD1:sc= -0.0831 X(o=-0.083,f=0) USER MOD Single : A 109 MET CE :methyl -168:sc= -2.79! (180deg=-3.04!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 158:sc= 1.29 (180deg=0.788) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -130:sc= -1.17 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 16.238 -2.471 -9.569 1.00 8.65 N ATOM 2 CA LEU A 26 15.234 -1.600 -8.924 1.00 7.71 C ATOM 3 C LEU A 26 14.099 -2.423 -8.334 1.00 6.76 C ATOM 4 O LEU A 26 13.537 -3.291 -9.002 1.00 6.84 O ATOM 5 CB LEU A 26 14.667 -0.610 -9.944 1.00 7.84 C ATOM 6 CG LEU A 26 13.528 0.276 -9.433 1.00 8.33 C ATOM 7 CD1 LEU A 26 14.013 1.208 -8.329 1.00 8.50 C ATOM 8 CD2 LEU A 26 12.925 1.067 -10.579 1.00 8.72 C ATOM 0 HA LEU A 26 15.726 -1.055 -8.118 1.00 7.71 H new ATOM 0 HB2 LEU A 26 15.477 0.032 -10.291 1.00 7.84 H new ATOM 0 HB3 LEU A 26 14.310 -1.169 -10.809 1.00 7.84 H new ATOM 0 HG LEU A 26 12.756 -0.367 -9.010 1.00 8.33 H new ATOM 0 HD11 LEU A 26 13.184 1.826 -7.984 1.00 8.50 H new ATOM 0 HD12 LEU A 26 14.396 0.618 -7.497 1.00 8.50 H new ATOM 0 HD13 LEU A 26 14.806 1.848 -8.715 1.00 8.50 H new ATOM 0 HD21 LEU A 26 12.116 1.693 -10.203 1.00 8.72 H new ATOM 0 HD22 LEU A 26 13.692 1.697 -11.030 1.00 8.72 H new ATOM 0 HD23 LEU A 26 12.533 0.380 -11.329 1.00 8.72 H new ATOM 20 N ALA A 27 13.772 -2.154 -7.078 1.00 6.18 N ATOM 21 CA ALA A 27 12.621 -2.774 -6.446 1.00 5.48 C ATOM 22 C ALA A 27 11.398 -1.888 -6.615 1.00 4.38 C ATOM 23 O ALA A 27 11.214 -0.912 -5.883 1.00 4.57 O ATOM 24 CB ALA A 27 12.891 -3.039 -4.974 1.00 6.04 C ATOM 0 H ALA A 27 14.289 -1.511 -6.478 1.00 6.18 H new ATOM 0 HA ALA A 27 12.431 -3.732 -6.930 1.00 5.48 H new ATOM 0 HB1 ALA A 27 12.015 -3.504 -4.521 1.00 6.04 H new ATOM 0 HB2 ALA A 27 13.747 -3.706 -4.876 1.00 6.04 H new ATOM 0 HB3 ALA A 27 13.105 -2.097 -4.468 1.00 6.04 H new ATOM 30 N PHE A 28 10.590 -2.204 -7.612 1.00 3.64 N ATOM 31 CA PHE A 28 9.383 -1.445 -7.886 1.00 2.91 C ATOM 32 C PHE A 28 8.155 -2.246 -7.469 1.00 1.94 C ATOM 33 O PHE A 28 8.115 -3.463 -7.632 1.00 2.30 O ATOM 34 CB PHE A 28 9.303 -1.059 -9.372 1.00 3.48 C ATOM 35 CG PHE A 28 9.285 -2.230 -10.324 1.00 4.19 C ATOM 36 CD1 PHE A 28 10.463 -2.869 -10.682 1.00 4.76 C ATOM 37 CD2 PHE A 28 8.090 -2.695 -10.851 1.00 4.70 C ATOM 38 CE1 PHE A 28 10.449 -3.946 -11.548 1.00 5.72 C ATOM 39 CE2 PHE A 28 8.070 -3.771 -11.719 1.00 5.68 C ATOM 40 CZ PHE A 28 9.251 -4.381 -12.087 1.00 6.15 C ATOM 0 H PHE A 28 10.750 -2.985 -8.248 1.00 3.64 H new ATOM 0 HA PHE A 28 9.413 -0.524 -7.304 1.00 2.91 H new ATOM 0 HB2 PHE A 28 8.404 -0.464 -9.532 1.00 3.48 H new ATOM 0 HB3 PHE A 28 10.154 -0.423 -9.615 1.00 3.48 H new ATOM 0 HD1 PHE A 28 11.403 -2.521 -10.279 1.00 4.76 H new ATOM 0 HD2 PHE A 28 7.163 -2.211 -10.580 1.00 4.70 H new ATOM 0 HE1 PHE A 28 11.371 -4.447 -11.804 1.00 5.72 H new ATOM 0 HE2 PHE A 28 7.130 -4.134 -12.109 1.00 5.68 H new ATOM 0 HZ PHE A 28 9.241 -5.197 -12.795 1.00 6.15 H new ATOM 50 N GLY A 29 7.169 -1.562 -6.916 1.00 1.43 N ATOM 51 CA GLY A 29 5.965 -2.222 -6.469 1.00 0.99 C ATOM 52 C GLY A 29 4.722 -1.591 -7.036 1.00 0.78 C ATOM 53 O GLY A 29 4.652 -0.370 -7.166 1.00 1.00 O ATOM 0 H GLY A 29 7.182 -0.553 -6.768 1.00 1.43 H new ATOM 0 HA2 GLY A 29 6.001 -3.272 -6.758 1.00 0.99 H new ATOM 0 HA3 GLY A 29 5.920 -2.193 -5.380 1.00 0.99 H new ATOM 57 N ALA A 30 3.748 -2.411 -7.391 1.00 0.70 N ATOM 58 CA ALA A 30 2.462 -1.902 -7.824 1.00 0.54 C ATOM 59 C ALA A 30 1.340 -2.795 -7.314 1.00 0.49 C ATOM 60 O ALA A 30 1.106 -3.875 -7.843 1.00 0.60 O ATOM 61 CB ALA A 30 2.410 -1.812 -9.342 1.00 0.68 C ATOM 0 H ALA A 30 3.824 -3.428 -7.387 1.00 0.70 H new ATOM 0 HA ALA A 30 2.330 -0.902 -7.410 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.438 -1.428 -9.651 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.193 -1.141 -9.694 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.562 -2.803 -9.771 1.00 0.68 H new ATOM 67 N ILE A 31 0.668 -2.357 -6.268 1.00 0.40 N ATOM 68 CA ILE A 31 -0.452 -3.096 -5.713 1.00 0.39 C ATOM 69 C ILE A 31 -1.562 -2.134 -5.336 1.00 0.35 C ATOM 70 O ILE A 31 -1.292 -1.019 -4.914 1.00 0.36 O ATOM 71 CB ILE A 31 -0.064 -3.870 -4.690 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.211 -4.564 -3.953 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.834 -3.109 -3.716 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.814 -3.790 -2.787 1.00 0.90 C ATOM 0 H ILE A 31 0.879 -1.486 -5.781 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.847 -3.775 -6.469 1.00 0.39 H new ATOM 0 HB ILE A 31 0.517 -4.670 -5.148 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.003 -4.778 -4.671 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -0.851 -5.523 -3.581 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.128 -3.770 -2.900 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.724 -2.760 -4.239 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.291 -2.254 -3.313 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.617 -4.375 -2.339 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -1.044 -3.599 -2.040 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -2.213 -2.842 -3.147 1.00 0.90 H new ATOM 86 N GLN A 32 -2.800 -2.515 -5.586 1.00 0.38 N ATOM 87 CA GLN A 32 -3.910 -1.647 -5.232 1.00 0.40 C ATOM 88 C GLN A 32 -4.758 -2.265 -4.143 1.00 0.37 C ATOM 89 O GLN A 32 -4.989 -3.480 -4.114 1.00 0.44 O ATOM 90 CB GLN A 32 -4.793 -1.294 -6.429 1.00 0.50 C ATOM 91 CG GLN A 32 -5.785 -2.364 -6.844 1.00 0.55 C ATOM 92 CD GLN A 32 -7.018 -1.774 -7.501 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.093 -1.670 -8.722 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.979 -1.352 -6.694 1.00 0.93 N ATOM 0 H GLN A 32 -3.061 -3.399 -6.023 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.463 -0.722 -4.866 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.344 -0.383 -6.196 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.150 -1.069 -7.280 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.303 -3.057 -7.534 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -6.082 -2.941 -5.969 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.879 -1.456 -5.684 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.819 -0.923 -7.082 1.00 0.93 H new ATOM 103 N LEU A 33 -5.222 -1.420 -3.252 1.00 0.34 N ATOM 104 CA LEU A 33 -6.074 -1.855 -2.167 1.00 0.36 C ATOM 105 C LEU A 33 -7.267 -0.937 -2.044 1.00 0.35 C ATOM 106 O LEU A 33 -7.284 0.143 -2.615 1.00 0.43 O ATOM 107 CB LEU A 33 -5.271 -1.927 -0.863 1.00 0.45 C ATOM 108 CG LEU A 33 -4.506 -0.654 -0.452 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.433 0.387 0.161 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.384 -1.002 0.515 1.00 0.71 C ATOM 0 H LEU A 33 -5.022 -0.420 -3.257 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.449 -2.856 -2.378 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.955 -2.189 -0.056 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.553 -2.743 -0.950 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.076 -0.220 -1.354 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.856 1.270 0.438 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.197 0.666 -0.564 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.910 -0.028 1.049 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.852 -0.093 0.797 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.804 -1.468 1.406 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.692 -1.694 0.035 1.00 0.71 H new ATOM 122 N ASP A 34 -8.276 -1.383 -1.336 1.00 0.35 N ATOM 123 CA ASP A 34 -9.448 -0.552 -1.105 1.00 0.45 C ATOM 124 C ASP A 34 -9.275 0.268 0.162 1.00 0.53 C ATOM 125 O ASP A 34 -8.559 -0.126 1.082 1.00 0.58 O ATOM 126 CB ASP A 34 -10.739 -1.380 -1.049 1.00 0.55 C ATOM 127 CG ASP A 34 -10.709 -2.497 -0.029 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.725 -2.210 1.184 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.696 -3.670 -0.441 1.00 1.15 O ATOM 0 H ASP A 34 -8.316 -2.309 -0.910 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.541 0.127 -1.952 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.574 -0.717 -0.823 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.928 -1.806 -2.034 1.00 0.55 H new ATOM 134 N GLY A 35 -9.926 1.424 0.189 1.00 0.67 N ATOM 135 CA GLY A 35 -9.820 2.318 1.329 1.00 0.84 C ATOM 136 C GLY A 35 -10.521 1.763 2.547 1.00 0.85 C ATOM 137 O GLY A 35 -10.391 2.290 3.655 1.00 1.20 O ATOM 0 H GLY A 35 -10.529 1.761 -0.562 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -8.769 2.487 1.561 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.250 3.286 1.072 1.00 0.84 H new ATOM 141 N ASP A 36 -11.263 0.693 2.329 1.00 0.69 N ATOM 142 CA ASP A 36 -11.973 0.005 3.387 1.00 0.83 C ATOM 143 C ASP A 36 -10.982 -0.769 4.258 1.00 0.83 C ATOM 144 O ASP A 36 -11.140 -0.841 5.479 1.00 1.10 O ATOM 145 CB ASP A 36 -13.027 -0.917 2.770 1.00 0.89 C ATOM 146 CG ASP A 36 -13.788 -1.737 3.795 1.00 1.24 C ATOM 147 OD1 ASP A 36 -13.534 -2.955 3.905 1.00 1.81 O ATOM 148 OD2 ASP A 36 -14.663 -1.173 4.489 1.00 1.77 O ATOM 0 H ASP A 36 -11.390 0.276 1.407 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.483 0.724 4.028 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.735 -0.316 2.199 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.541 -1.591 2.065 1.00 0.89 H new ATOM 153 N GLY A 37 -9.945 -1.320 3.628 1.00 0.67 N ATOM 154 CA GLY A 37 -8.855 -1.916 4.384 1.00 0.81 C ATOM 155 C GLY A 37 -8.314 -3.202 3.781 1.00 0.78 C ATOM 156 O GLY A 37 -7.392 -3.802 4.335 1.00 1.05 O ATOM 0 H GLY A 37 -9.841 -1.364 2.614 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -8.043 -1.193 4.461 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.199 -2.119 5.398 1.00 0.81 H new ATOM 160 N ASN A 38 -8.859 -3.619 2.647 1.00 0.61 N ATOM 161 CA ASN A 38 -8.500 -4.908 2.049 1.00 0.73 C ATOM 162 C ASN A 38 -7.644 -4.714 0.809 1.00 0.57 C ATOM 163 O ASN A 38 -7.650 -3.649 0.192 1.00 0.49 O ATOM 164 CB ASN A 38 -9.762 -5.688 1.668 1.00 0.95 C ATOM 165 CG ASN A 38 -10.826 -5.648 2.742 1.00 1.13 C ATOM 166 OD1 ASN A 38 -10.928 -6.548 3.579 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.625 -4.592 2.727 1.00 1.38 N ATOM 0 H ASN A 38 -9.551 -3.088 2.119 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.930 -5.469 2.790 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.170 -5.279 0.744 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.495 -6.725 1.467 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.361 -4.499 3.427 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.504 -3.871 2.016 1.00 1.38 H new ATOM 174 N ILE A 39 -6.905 -5.750 0.446 1.00 0.65 N ATOM 175 CA ILE A 39 -6.135 -5.741 -0.786 1.00 0.57 C ATOM 176 C ILE A 39 -7.039 -6.189 -1.936 1.00 0.59 C ATOM 177 O ILE A 39 -7.903 -7.046 -1.744 1.00 0.77 O ATOM 178 CB ILE A 39 -5.069 -6.538 -0.695 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.135 -6.101 0.435 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.302 -6.596 -2.018 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.525 -4.729 0.248 1.00 1.18 C ATOM 0 H ILE A 39 -6.822 -6.610 0.989 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.772 -4.730 -0.971 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.439 -7.537 -0.466 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.690 -6.114 1.373 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.332 -6.832 0.529 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.439 -7.254 -1.910 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.956 -6.980 -2.801 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.964 -5.595 -2.287 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.878 -4.500 1.095 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.940 -4.713 -0.671 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.318 -3.984 0.186 1.00 1.18 H new ATOM 193 N LEU A 40 -6.902 -5.566 -3.101 1.00 0.51 N ATOM 194 CA LEU A 40 -7.748 -5.923 -4.230 1.00 0.61 C ATOM 195 C LEU A 40 -6.953 -6.670 -5.290 1.00 0.60 C ATOM 196 O LEU A 40 -7.325 -7.774 -5.690 1.00 0.72 O ATOM 197 CB LEU A 40 -8.415 -4.684 -4.835 1.00 0.66 C ATOM 198 CG LEU A 40 -9.444 -4.984 -5.932 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.504 -5.950 -5.425 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.094 -3.700 -6.427 1.00 1.54 C ATOM 0 H LEU A 40 -6.226 -4.825 -3.286 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.532 -6.583 -3.859 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.906 -4.126 -4.038 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.642 -4.036 -5.248 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.921 -5.451 -6.767 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.224 -6.149 -6.219 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.030 -6.884 -5.122 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.018 -5.510 -4.571 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.820 -3.936 -7.205 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.599 -3.204 -5.598 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.329 -3.038 -6.834 1.00 1.54 H new ATOM 212 N GLN A 41 -5.855 -6.082 -5.744 1.00 0.50 N ATOM 213 CA GLN A 41 -5.010 -6.755 -6.732 1.00 0.55 C ATOM 214 C GLN A 41 -3.549 -6.385 -6.555 1.00 0.46 C ATOM 215 O GLN A 41 -3.217 -5.242 -6.239 1.00 0.46 O ATOM 216 CB GLN A 41 -5.453 -6.455 -8.176 1.00 0.67 C ATOM 217 CG GLN A 41 -5.285 -5.007 -8.608 1.00 1.08 C ATOM 218 CD GLN A 41 -5.512 -4.810 -10.095 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.237 -5.700 -10.900 1.00 2.41 O ATOM 220 NE2 GLN A 41 -6.025 -3.650 -10.473 1.00 2.37 N ATOM 0 H GLN A 41 -5.529 -5.160 -5.454 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.127 -7.825 -6.558 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -4.884 -7.090 -8.855 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -6.502 -6.732 -8.284 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -5.984 -4.383 -8.052 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -4.281 -4.669 -8.350 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -6.240 -2.936 -9.777 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -6.205 -3.470 -11.461 1.00 2.37 H new ATOM 229 N TYR A 42 -2.682 -7.367 -6.749 1.00 0.57 N ATOM 230 CA TYR A 42 -1.248 -7.146 -6.705 1.00 0.58 C ATOM 231 C TYR A 42 -0.676 -7.301 -8.102 1.00 0.65 C ATOM 232 O TYR A 42 -0.788 -8.362 -8.714 1.00 0.79 O ATOM 233 CB TYR A 42 -0.564 -8.127 -5.745 1.00 0.71 C ATOM 234 CG TYR A 42 0.947 -8.003 -5.712 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.752 -8.921 -6.374 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.566 -6.964 -5.030 1.00 0.82 C ATOM 237 CE1 TYR A 42 3.130 -8.806 -6.357 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.943 -6.842 -5.008 1.00 1.02 C ATOM 239 CZ TYR A 42 3.722 -7.788 -5.633 1.00 1.21 C ATOM 240 OH TYR A 42 5.094 -7.646 -5.654 1.00 1.42 O ATOM 0 H TYR A 42 -2.952 -8.332 -6.940 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.062 -6.137 -6.338 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -0.954 -7.967 -4.740 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.829 -9.145 -6.032 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.294 -9.738 -6.911 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.961 -6.238 -4.507 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.740 -9.508 -6.906 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.405 -6.007 -4.502 1.00 1.02 H new ATOM 0 HH TYR A 42 5.353 -6.883 -5.095 1.00 1.42 H new ATOM 250 N ASN A 43 -0.082 -6.242 -8.606 1.00 0.63 N ATOM 251 CA ASN A 43 0.473 -6.249 -9.942 1.00 0.75 C ATOM 252 C ASN A 43 1.953 -6.584 -9.845 1.00 0.92 C ATOM 253 O ASN A 43 2.545 -6.440 -8.773 1.00 1.02 O ATOM 254 CB ASN A 43 0.254 -4.890 -10.632 1.00 0.78 C ATOM 255 CG ASN A 43 -1.199 -4.416 -10.581 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.924 -4.664 -9.619 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.647 -3.743 -11.623 1.00 0.88 N ATOM 0 H ASN A 43 0.030 -5.359 -8.107 1.00 0.63 H new ATOM 0 HA ASN A 43 -0.031 -7.001 -10.549 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.890 -4.142 -10.158 1.00 0.78 H new ATOM 0 HB3 ASN A 43 0.569 -4.963 -11.673 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.613 -3.416 -11.642 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -1.027 -3.549 -12.410 1.00 0.88 H new ATOM 264 N ALA A 44 2.534 -7.039 -10.957 1.00 1.13 N ATOM 265 CA ALA A 44 3.903 -7.559 -10.986 1.00 1.36 C ATOM 266 C ALA A 44 3.968 -8.923 -10.303 1.00 1.78 C ATOM 267 O ALA A 44 3.020 -9.341 -9.635 1.00 2.50 O ATOM 268 CB ALA A 44 4.903 -6.587 -10.361 1.00 2.05 C ATOM 0 H ALA A 44 2.068 -7.057 -11.864 1.00 1.13 H new ATOM 0 HA ALA A 44 4.187 -7.676 -12.032 1.00 1.36 H new ATOM 0 HB1 ALA A 44 5.904 -7.016 -10.406 1.00 2.05 H new ATOM 0 HB2 ALA A 44 4.887 -5.646 -10.910 1.00 2.05 H new ATOM 0 HB3 ALA A 44 4.632 -6.405 -9.321 1.00 2.05 H new ATOM 274 N ALA A 45 5.070 -9.635 -10.488 1.00 2.22 N ATOM 275 CA ALA A 45 5.205 -10.972 -9.928 1.00 3.09 C ATOM 276 C ALA A 45 6.493 -11.119 -9.129 1.00 3.52 C ATOM 277 O ALA A 45 7.579 -10.769 -9.600 1.00 3.90 O ATOM 278 CB ALA A 45 5.154 -12.015 -11.033 1.00 4.00 C ATOM 0 H ALA A 45 5.879 -9.312 -11.018 1.00 2.22 H new ATOM 0 HA ALA A 45 4.369 -11.130 -9.246 1.00 3.09 H new ATOM 0 HB1 ALA A 45 5.256 -13.010 -10.599 1.00 4.00 H new ATOM 0 HB2 ALA A 45 4.201 -11.944 -11.557 1.00 4.00 H new ATOM 0 HB3 ALA A 45 5.968 -11.840 -11.736 1.00 4.00 H new ATOM 284 N GLU A 46 6.366 -11.649 -7.921 1.00 4.02 N ATOM 285 CA GLU A 46 7.516 -11.884 -7.066 1.00 4.87 C ATOM 286 C GLU A 46 7.989 -13.332 -7.189 1.00 5.45 C ATOM 287 O GLU A 46 7.379 -14.256 -6.641 1.00 5.90 O ATOM 288 CB GLU A 46 7.191 -11.538 -5.605 1.00 5.61 C ATOM 289 CG GLU A 46 5.915 -12.181 -5.084 1.00 5.96 C ATOM 290 CD GLU A 46 5.709 -11.963 -3.601 1.00 6.73 C ATOM 291 OE1 GLU A 46 5.026 -10.989 -3.232 1.00 7.09 O ATOM 292 OE2 GLU A 46 6.253 -12.746 -2.795 1.00 7.21 O ATOM 0 H GLU A 46 5.473 -11.925 -7.511 1.00 4.02 H new ATOM 0 HA GLU A 46 8.325 -11.231 -7.394 1.00 4.87 H new ATOM 0 HB2 GLU A 46 8.025 -11.848 -4.975 1.00 5.61 H new ATOM 0 HB3 GLU A 46 7.105 -10.456 -5.510 1.00 5.61 H new ATOM 0 HG2 GLU A 46 5.062 -11.776 -5.628 1.00 5.96 H new ATOM 0 HG3 GLU A 46 5.944 -13.251 -5.288 1.00 5.96 H new ATOM 299 N GLY A 47 9.055 -13.530 -7.946 1.00 5.76 N ATOM 300 CA GLY A 47 9.614 -14.856 -8.104 1.00 6.54 C ATOM 301 C GLY A 47 10.944 -14.823 -8.818 1.00 6.69 C ATOM 302 O GLY A 47 11.176 -15.590 -9.754 1.00 6.97 O ATOM 0 H GLY A 47 9.545 -12.795 -8.456 1.00 5.76 H new ATOM 0 HA2 GLY A 47 9.739 -15.317 -7.124 1.00 6.54 H new ATOM 0 HA3 GLY A 47 8.917 -15.480 -8.663 1.00 6.54 H new ATOM 306 N ASP A 48 11.812 -13.920 -8.389 1.00 6.81 N ATOM 307 CA ASP A 48 13.125 -13.774 -9.002 1.00 7.22 C ATOM 308 C ASP A 48 14.118 -13.234 -7.989 1.00 7.49 C ATOM 309 O ASP A 48 13.984 -12.101 -7.525 1.00 7.74 O ATOM 310 CB ASP A 48 13.052 -12.849 -10.216 1.00 7.72 C ATOM 311 CG ASP A 48 14.352 -12.811 -10.997 1.00 8.18 C ATOM 312 OD1 ASP A 48 14.677 -13.819 -11.664 1.00 8.38 O ATOM 313 OD2 ASP A 48 15.049 -11.775 -10.959 1.00 8.59 O ATOM 0 H ASP A 48 11.632 -13.276 -7.618 1.00 6.81 H new ATOM 0 HA ASP A 48 13.461 -14.755 -9.337 1.00 7.22 H new ATOM 0 HB2 ASP A 48 12.247 -13.179 -10.873 1.00 7.72 H new ATOM 0 HB3 ASP A 48 12.801 -11.841 -9.886 1.00 7.72 H new ATOM 318 N ILE A 49 15.099 -14.066 -7.647 1.00 7.75 N ATOM 319 CA ILE A 49 16.114 -13.731 -6.645 1.00 8.31 C ATOM 320 C ILE A 49 15.434 -13.329 -5.329 1.00 8.64 C ATOM 321 O ILE A 49 15.686 -12.266 -4.759 1.00 9.15 O ATOM 322 CB ILE A 49 16.941 -12.770 -7.065 1.00 8.70 C ATOM 323 CG1 ILE A 49 17.394 -13.032 -8.507 1.00 8.59 C ATOM 324 CG2 ILE A 49 18.165 -12.676 -6.149 1.00 9.24 C ATOM 325 CD1 ILE A 49 18.294 -11.953 -9.074 1.00 9.12 C ATOM 0 H ILE A 49 15.215 -14.993 -8.056 1.00 7.75 H new ATOM 0 HA ILE A 49 16.724 -14.619 -6.479 1.00 8.31 H new ATOM 0 HB ILE A 49 16.399 -11.825 -7.034 1.00 8.70 H new ATOM 0 HG12 ILE A 49 17.919 -13.986 -8.545 1.00 8.59 H new ATOM 0 HG13 ILE A 49 16.513 -13.128 -9.142 1.00 8.59 H new ATOM 0 HG21 ILE A 49 18.827 -11.888 -6.507 1.00 9.24 H new ATOM 0 HG22 ILE A 49 17.843 -12.446 -5.133 1.00 9.24 H new ATOM 0 HG23 ILE A 49 18.697 -13.627 -6.154 1.00 9.24 H new ATOM 0 HD11 ILE A 49 18.571 -12.211 -10.096 1.00 9.12 H new ATOM 0 HD12 ILE A 49 17.766 -11.000 -9.071 1.00 9.12 H new ATOM 0 HD13 ILE A 49 19.193 -11.872 -8.464 1.00 9.12 H new ATOM 337 N THR A 50 14.523 -14.179 -4.880 1.00 8.56 N ATOM 338 CA THR A 50 13.844 -13.972 -3.612 1.00 9.03 C ATOM 339 C THR A 50 14.367 -14.931 -2.549 1.00 9.23 C ATOM 340 O THR A 50 15.146 -15.837 -2.851 1.00 9.50 O ATOM 341 CB THR A 50 12.541 -14.126 -3.744 1.00 9.31 C ATOM 342 OG1 THR A 50 12.261 -15.291 -4.537 1.00 9.41 O ATOM 343 CG2 THR A 50 11.903 -12.907 -4.385 1.00 9.82 C ATOM 0 H THR A 50 14.237 -15.022 -5.378 1.00 8.56 H new ATOM 0 HA THR A 50 14.049 -12.949 -3.295 1.00 9.03 H new ATOM 0 HB THR A 50 12.116 -14.250 -2.748 1.00 9.31 H new ATOM 0 HG1 THR A 50 11.291 -15.399 -4.629 1.00 9.41 H new ATOM 0 HG21 THR A 50 10.829 -13.066 -4.480 1.00 9.82 H new ATOM 0 HG22 THR A 50 12.087 -12.031 -3.763 1.00 9.82 H new ATOM 0 HG23 THR A 50 12.335 -12.748 -5.373 1.00 9.82 H new ATOM 351 N GLY A 51 13.959 -14.715 -1.305 1.00 9.30 N ATOM 352 CA GLY A 51 14.391 -15.578 -0.224 1.00 9.62 C ATOM 353 C GLY A 51 13.224 -16.090 0.589 1.00 9.32 C ATOM 354 O GLY A 51 13.047 -17.297 0.745 1.00 9.37 O ATOM 0 H GLY A 51 13.336 -13.957 -1.026 1.00 9.30 H new ATOM 0 HA2 GLY A 51 14.947 -16.422 -0.633 1.00 9.62 H new ATOM 0 HA3 GLY A 51 15.074 -15.031 0.426 1.00 9.62 H new ATOM 358 N ARG A 52 12.430 -15.167 1.111 1.00 9.21 N ATOM 359 CA ARG A 52 11.243 -15.514 1.873 1.00 9.00 C ATOM 360 C ARG A 52 10.033 -14.748 1.360 1.00 8.48 C ATOM 361 O ARG A 52 10.173 -13.682 0.758 1.00 8.73 O ATOM 362 CB ARG A 52 11.453 -15.233 3.362 1.00 9.54 C ATOM 363 CG ARG A 52 12.422 -16.195 4.022 1.00 10.23 C ATOM 364 CD ARG A 52 12.537 -15.941 5.514 1.00 10.92 C ATOM 365 NE ARG A 52 13.056 -17.104 6.233 1.00 11.43 N ATOM 366 CZ ARG A 52 13.700 -17.038 7.402 1.00 12.12 C ATOM 367 NH1 ARG A 52 13.960 -15.864 7.959 1.00 12.40 N ATOM 368 NH2 ARG A 52 14.101 -18.148 8.008 1.00 12.72 N ATOM 0 H ARG A 52 12.590 -14.164 1.019 1.00 9.21 H new ATOM 0 HA ARG A 52 11.060 -16.581 1.745 1.00 9.00 H new ATOM 0 HB2 ARG A 52 11.822 -14.215 3.484 1.00 9.54 H new ATOM 0 HB3 ARG A 52 10.492 -15.287 3.874 1.00 9.54 H new ATOM 0 HG2 ARG A 52 12.090 -17.219 3.852 1.00 10.23 H new ATOM 0 HG3 ARG A 52 13.404 -16.097 3.559 1.00 10.23 H new ATOM 0 HD2 ARG A 52 13.192 -15.087 5.686 1.00 10.92 H new ATOM 0 HD3 ARG A 52 11.558 -15.677 5.913 1.00 10.92 H new ATOM 0 HE ARG A 52 12.918 -18.024 5.815 1.00 11.43 H new ATOM 0 HH11 ARG A 52 13.668 -15.004 7.495 1.00 12.40 H new ATOM 0 HH12 ARG A 52 14.452 -15.821 8.851 1.00 12.40 H new ATOM 0 HH21 ARG A 52 13.918 -19.056 7.582 1.00 12.72 H new ATOM 0 HH22 ARG A 52 14.592 -18.093 8.900 1.00 12.72 H new ATOM 382 N ASP A 53 8.852 -15.298 1.605 1.00 7.97 N ATOM 383 CA ASP A 53 7.610 -14.718 1.111 1.00 7.57 C ATOM 384 C ASP A 53 7.135 -13.587 2.009 1.00 7.11 C ATOM 385 O ASP A 53 6.872 -13.790 3.198 1.00 6.96 O ATOM 386 CB ASP A 53 6.515 -15.782 1.013 1.00 7.63 C ATOM 387 CG ASP A 53 6.839 -16.866 0.010 1.00 7.90 C ATOM 388 OD1 ASP A 53 7.278 -17.957 0.430 1.00 8.01 O ATOM 389 OD2 ASP A 53 6.669 -16.630 -1.205 1.00 8.24 O ATOM 0 H ASP A 53 8.727 -16.153 2.148 1.00 7.97 H new ATOM 0 HA ASP A 53 7.812 -14.317 0.118 1.00 7.57 H new ATOM 0 HB2 ASP A 53 6.365 -16.234 1.994 1.00 7.63 H new ATOM 0 HB3 ASP A 53 5.575 -15.305 0.735 1.00 7.63 H new ATOM 394 N PRO A 54 7.027 -12.372 1.453 1.00 7.19 N ATOM 395 CA PRO A 54 6.504 -11.213 2.164 1.00 7.04 C ATOM 396 C PRO A 54 4.979 -11.192 2.160 1.00 6.40 C ATOM 397 O PRO A 54 4.360 -10.424 2.898 1.00 6.42 O ATOM 398 CB PRO A 54 7.058 -10.013 1.375 1.00 7.72 C ATOM 399 CG PRO A 54 7.873 -10.588 0.257 1.00 8.11 C ATOM 400 CD PRO A 54 7.434 -12.016 0.094 1.00 7.77 C ATOM 0 HA PRO A 54 6.798 -11.211 3.214 1.00 7.04 H new ATOM 0 HB2 PRO A 54 6.248 -9.394 0.988 1.00 7.72 H new ATOM 0 HB3 PRO A 54 7.669 -9.375 2.014 1.00 7.72 H new ATOM 0 HG2 PRO A 54 7.716 -10.027 -0.664 1.00 8.11 H new ATOM 0 HG3 PRO A 54 8.937 -10.534 0.486 1.00 8.11 H new ATOM 0 HD2 PRO A 54 6.612 -12.111 -0.615 1.00 7.77 H new ATOM 0 HD3 PRO A 54 8.242 -12.651 -0.268 1.00 7.77 H new ATOM 408 N LYS A 55 4.389 -12.048 1.324 1.00 6.12 N ATOM 409 CA LYS A 55 2.938 -12.125 1.166 1.00 5.80 C ATOM 410 C LYS A 55 2.376 -10.787 0.696 1.00 5.33 C ATOM 411 O LYS A 55 1.726 -10.061 1.451 1.00 5.67 O ATOM 412 CB LYS A 55 2.262 -12.578 2.465 1.00 6.46 C ATOM 413 CG LYS A 55 2.594 -14.011 2.850 1.00 7.19 C ATOM 414 CD LYS A 55 2.032 -14.373 4.212 1.00 8.01 C ATOM 415 CE LYS A 55 2.705 -13.577 5.318 1.00 8.64 C ATOM 416 NZ LYS A 55 2.158 -13.911 6.659 1.00 9.24 N ATOM 0 H LYS A 55 4.904 -12.706 0.739 1.00 6.12 H new ATOM 0 HA LYS A 55 2.722 -12.873 0.403 1.00 5.80 H new ATOM 0 HB2 LYS A 55 2.564 -11.913 3.274 1.00 6.46 H new ATOM 0 HB3 LYS A 55 1.182 -12.479 2.357 1.00 6.46 H new ATOM 0 HG2 LYS A 55 2.193 -14.691 2.099 1.00 7.19 H new ATOM 0 HG3 LYS A 55 3.676 -14.144 2.856 1.00 7.19 H new ATOM 0 HD2 LYS A 55 0.959 -14.184 4.227 1.00 8.01 H new ATOM 0 HD3 LYS A 55 2.170 -15.439 4.393 1.00 8.01 H new ATOM 0 HE2 LYS A 55 3.777 -13.774 5.305 1.00 8.64 H new ATOM 0 HE3 LYS A 55 2.574 -12.512 5.129 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 2.645 -13.346 7.383 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 1.140 -13.699 6.681 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 2.306 -14.922 6.852 1.00 9.24 H new ATOM 430 N GLN A 56 2.659 -10.466 -0.556 1.00 4.97 N ATOM 431 CA GLN A 56 2.250 -9.203 -1.148 1.00 4.93 C ATOM 432 C GLN A 56 1.055 -9.395 -2.075 1.00 4.31 C ATOM 433 O GLN A 56 0.231 -8.492 -2.235 1.00 4.54 O ATOM 434 CB GLN A 56 3.420 -8.590 -1.917 1.00 5.58 C ATOM 435 CG GLN A 56 4.540 -8.078 -1.025 1.00 6.20 C ATOM 436 CD GLN A 56 5.807 -7.761 -1.799 1.00 6.94 C ATOM 437 OE1 GLN A 56 6.536 -6.828 -1.466 1.00 7.39 O ATOM 438 NE2 GLN A 56 6.106 -8.562 -2.809 1.00 7.40 N ATOM 0 H GLN A 56 3.178 -11.073 -1.190 1.00 4.97 H new ATOM 0 HA GLN A 56 1.951 -8.527 -0.347 1.00 4.93 H new ATOM 0 HB2 GLN A 56 3.825 -9.337 -2.600 1.00 5.58 H new ATOM 0 HB3 GLN A 56 3.050 -7.767 -2.528 1.00 5.58 H new ATOM 0 HG2 GLN A 56 4.203 -7.182 -0.504 1.00 6.20 H new ATOM 0 HG3 GLN A 56 4.762 -8.825 -0.263 1.00 6.20 H new ATOM 0 HE21 GLN A 56 5.478 -9.326 -3.057 1.00 7.40 H new ATOM 0 HE22 GLN A 56 6.965 -8.415 -3.339 1.00 7.40 H new ATOM 447 N VAL A 57 0.970 -10.574 -2.687 1.00 3.91 N ATOM 448 CA VAL A 57 -0.140 -10.892 -3.579 1.00 3.65 C ATOM 449 C VAL A 57 -1.451 -11.039 -2.783 1.00 2.70 C ATOM 450 O VAL A 57 -1.855 -12.128 -2.371 1.00 3.03 O ATOM 451 CB VAL A 57 0.123 -11.968 -4.339 1.00 4.38 C ATOM 452 CG1 VAL A 57 0.445 -13.223 -3.523 1.00 5.06 C ATOM 453 CG2 VAL A 57 -1.008 -12.228 -5.319 1.00 4.94 C ATOM 0 H VAL A 57 1.655 -11.322 -2.581 1.00 3.91 H new ATOM 0 HA VAL A 57 -0.270 -10.059 -4.270 1.00 3.65 H new ATOM 0 HB VAL A 57 1.027 -11.733 -4.901 1.00 4.38 H new ATOM 0 HG11 VAL A 57 0.647 -14.054 -4.198 1.00 5.06 H new ATOM 0 HG12 VAL A 57 1.322 -13.038 -2.902 1.00 5.06 H new ATOM 0 HG13 VAL A 57 -0.404 -13.471 -2.887 1.00 5.06 H new ATOM 0 HG21 VAL A 57 -0.772 -13.104 -5.923 1.00 4.94 H new ATOM 0 HG22 VAL A 57 -1.932 -12.405 -4.769 1.00 4.94 H new ATOM 0 HG23 VAL A 57 -1.133 -11.362 -5.969 1.00 4.94 H new ATOM 463 N ILE A 58 -2.121 -9.899 -2.597 1.00 2.02 N ATOM 464 CA ILE A 58 -3.321 -9.811 -1.772 1.00 1.38 C ATOM 465 C ILE A 58 -2.978 -10.224 -0.346 1.00 1.46 C ATOM 466 O ILE A 58 -3.320 -11.310 0.121 1.00 1.83 O ATOM 467 CB ILE A 58 -4.324 -10.547 -2.241 1.00 1.94 C ATOM 468 CG1 ILE A 58 -4.553 -10.273 -3.732 1.00 2.47 C ATOM 469 CG2 ILE A 58 -5.606 -10.262 -1.455 1.00 2.66 C ATOM 470 CD1 ILE A 58 -5.646 -11.123 -4.346 1.00 3.17 C ATOM 0 H ILE A 58 -1.844 -9.012 -3.016 1.00 2.02 H new ATOM 0 HA ILE A 58 -3.664 -8.777 -1.793 1.00 1.38 H new ATOM 0 HB ILE A 58 -4.058 -11.597 -2.120 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -4.805 -9.221 -3.865 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -3.622 -10.448 -4.272 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -6.418 -10.872 -1.850 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -5.449 -10.503 -0.404 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -5.864 -9.207 -1.550 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -5.751 -10.874 -5.402 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -5.387 -12.177 -4.246 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -6.588 -10.931 -3.833 1.00 3.17 H new ATOM 482 N GLY A 59 -2.277 -9.330 0.330 1.00 1.92 N ATOM 483 CA GLY A 59 -1.839 -9.590 1.684 1.00 2.81 C ATOM 484 C GLY A 59 -2.960 -9.451 2.692 1.00 2.70 C ATOM 485 O GLY A 59 -2.873 -9.981 3.799 1.00 3.24 O ATOM 0 H GLY A 59 -2.001 -8.420 -0.039 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -1.425 -10.597 1.742 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -1.035 -8.900 1.941 1.00 2.81 H new ATOM 489 N LYS A 60 -4.014 -8.734 2.325 1.00 2.08 N ATOM 490 CA LYS A 60 -5.127 -8.535 3.222 1.00 2.08 C ATOM 491 C LYS A 60 -6.405 -9.113 2.639 1.00 2.02 C ATOM 492 O LYS A 60 -6.969 -8.560 1.694 1.00 1.74 O ATOM 493 CB LYS A 60 -5.317 -7.048 3.487 1.00 1.96 C ATOM 494 CG LYS A 60 -6.576 -6.727 4.277 1.00 2.22 C ATOM 495 CD LYS A 60 -6.479 -7.199 5.718 1.00 2.80 C ATOM 496 CE LYS A 60 -5.646 -6.245 6.561 1.00 3.43 C ATOM 497 NZ LYS A 60 -6.268 -4.897 6.637 1.00 3.85 N ATOM 0 H LYS A 60 -4.115 -8.285 1.415 1.00 2.08 H new ATOM 0 HA LYS A 60 -4.908 -9.051 4.157 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -4.451 -6.671 4.031 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -5.351 -6.519 2.535 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -6.751 -5.651 4.259 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -7.435 -7.198 3.798 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -7.479 -7.283 6.143 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -6.036 -8.194 5.747 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -5.532 -6.651 7.566 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -4.646 -6.161 6.136 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -5.557 -4.203 6.944 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -6.631 -4.629 5.700 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -7.052 -4.914 7.320 1.00 3.85 H new ATOM 511 N ASN A 61 -6.837 -10.230 3.193 1.00 2.50 N ATOM 512 CA ASN A 61 -8.133 -10.793 2.857 1.00 2.76 C ATOM 513 C ASN A 61 -8.844 -11.245 4.129 1.00 3.11 C ATOM 514 O ASN A 61 -8.601 -12.334 4.645 1.00 3.53 O ATOM 515 CB ASN A 61 -7.995 -11.938 1.833 1.00 3.24 C ATOM 516 CG ASN A 61 -6.996 -13.012 2.237 1.00 3.68 C ATOM 517 OD1 ASN A 61 -5.790 -12.863 2.036 1.00 4.05 O ATOM 518 ND2 ASN A 61 -7.492 -14.120 2.762 1.00 4.18 N ATOM 0 H ASN A 61 -6.308 -10.768 3.880 1.00 2.50 H new ATOM 0 HA ASN A 61 -8.743 -10.024 2.383 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -8.971 -12.401 1.687 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -7.694 -11.519 0.873 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -6.870 -14.887 3.015 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -8.497 -14.207 2.914 1.00 4.18 H new ATOM 525 N PHE A 62 -9.695 -10.351 4.636 1.00 3.09 N ATOM 526 CA PHE A 62 -10.477 -10.572 5.854 1.00 3.55 C ATOM 527 C PHE A 62 -9.621 -11.092 7.015 1.00 4.05 C ATOM 528 O PHE A 62 -9.555 -12.298 7.275 1.00 4.38 O ATOM 529 CB PHE A 62 -11.647 -11.523 5.585 1.00 4.05 C ATOM 530 CG PHE A 62 -12.651 -11.551 6.699 1.00 4.80 C ATOM 531 CD1 PHE A 62 -13.411 -10.433 6.998 1.00 5.37 C ATOM 532 CD2 PHE A 62 -12.840 -12.705 7.444 1.00 5.28 C ATOM 533 CE1 PHE A 62 -14.340 -10.464 8.019 1.00 6.27 C ATOM 534 CE2 PHE A 62 -13.767 -12.741 8.466 1.00 6.21 C ATOM 535 CZ PHE A 62 -14.501 -11.590 8.770 1.00 6.66 C ATOM 0 H PHE A 62 -9.863 -9.441 4.207 1.00 3.09 H new ATOM 0 HA PHE A 62 -10.871 -9.601 6.154 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -12.145 -11.225 4.662 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -11.260 -12.530 5.427 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -13.276 -9.527 6.426 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -12.255 -13.586 7.222 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -14.942 -9.591 8.224 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -13.924 -13.651 9.026 1.00 6.21 H new ATOM 0 HZ PHE A 62 -15.194 -11.593 9.598 1.00 6.66 H new ATOM 545 N PHE A 63 -8.964 -10.177 7.711 1.00 4.57 N ATOM 546 CA PHE A 63 -8.165 -10.534 8.877 1.00 5.42 C ATOM 547 C PHE A 63 -8.952 -10.214 10.139 1.00 5.92 C ATOM 548 O PHE A 63 -9.215 -11.083 10.965 1.00 6.42 O ATOM 549 CB PHE A 63 -6.831 -9.777 8.870 1.00 6.08 C ATOM 550 CG PHE A 63 -6.011 -9.979 10.114 1.00 6.58 C ATOM 551 CD1 PHE A 63 -5.784 -8.925 10.986 1.00 7.21 C ATOM 552 CD2 PHE A 63 -5.472 -11.217 10.414 1.00 6.73 C ATOM 553 CE1 PHE A 63 -5.032 -9.102 12.131 1.00 7.98 C ATOM 554 CE2 PHE A 63 -4.720 -11.403 11.558 1.00 7.51 C ATOM 555 CZ PHE A 63 -4.500 -10.344 12.417 1.00 8.13 C ATOM 0 H PHE A 63 -8.967 -9.181 7.490 1.00 4.57 H new ATOM 0 HA PHE A 63 -7.945 -11.601 8.849 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -6.248 -10.096 8.006 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -7.029 -8.712 8.746 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -6.201 -7.953 10.767 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -5.641 -12.048 9.746 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -4.861 -8.272 12.800 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -4.305 -12.375 11.780 1.00 7.51 H new ATOM 0 HZ PHE A 63 -3.912 -10.487 13.312 1.00 8.13 H new ATOM 565 N LYS A 64 -9.320 -8.949 10.257 1.00 6.06 N ATOM 566 CA LYS A 64 -10.194 -8.460 11.314 1.00 6.71 C ATOM 567 C LYS A 64 -10.954 -7.284 10.745 1.00 6.68 C ATOM 568 O LYS A 64 -12.142 -7.384 10.443 1.00 6.92 O ATOM 569 CB LYS A 64 -9.411 -8.024 12.562 1.00 7.46 C ATOM 570 CG LYS A 64 -8.772 -9.170 13.331 1.00 8.15 C ATOM 571 CD LYS A 64 -8.086 -8.686 14.600 1.00 8.91 C ATOM 572 CE LYS A 64 -9.080 -8.124 15.607 1.00 9.51 C ATOM 573 NZ LYS A 64 -10.101 -9.133 15.999 1.00 10.05 N ATOM 0 H LYS A 64 -9.016 -8.220 9.611 1.00 6.06 H new ATOM 0 HA LYS A 64 -10.862 -9.260 11.633 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -8.631 -7.324 12.261 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -10.084 -7.485 13.229 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -9.535 -9.905 13.588 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -8.045 -9.674 12.694 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -7.538 -9.512 15.054 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -7.354 -7.919 14.347 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -8.546 -7.784 16.494 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -9.576 -7.252 15.180 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -10.241 -9.103 17.029 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -11.000 -8.921 15.521 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -9.777 -10.081 15.721 1.00 10.05 H new ATOM 587 N ASP A 65 -10.235 -6.169 10.605 1.00 6.69 N ATOM 588 CA ASP A 65 -10.653 -5.038 9.774 1.00 6.98 C ATOM 589 C ASP A 65 -11.875 -4.296 10.319 1.00 7.54 C ATOM 590 O ASP A 65 -12.169 -3.183 9.880 1.00 7.94 O ATOM 591 CB ASP A 65 -10.890 -5.510 8.337 1.00 7.04 C ATOM 592 CG ASP A 65 -9.633 -6.105 7.728 1.00 7.56 C ATOM 593 OD1 ASP A 65 -8.782 -5.335 7.217 1.00 7.91 O ATOM 594 OD2 ASP A 65 -9.504 -7.345 7.731 1.00 7.87 O ATOM 0 H ASP A 65 -9.338 -6.024 11.069 1.00 6.69 H new ATOM 0 HA ASP A 65 -9.840 -4.313 9.792 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -11.687 -6.253 8.325 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -11.227 -4.671 7.729 1.00 7.04 H new ATOM 599 N VAL A 66 -12.582 -4.907 11.266 1.00 7.81 N ATOM 600 CA VAL A 66 -13.691 -4.251 11.948 1.00 8.51 C ATOM 601 C VAL A 66 -13.213 -2.945 12.596 1.00 8.76 C ATOM 602 O VAL A 66 -13.845 -1.899 12.456 1.00 9.29 O ATOM 603 CB VAL A 66 -14.263 -5.069 12.843 1.00 8.83 C ATOM 604 CG1 VAL A 66 -13.276 -5.581 13.895 1.00 9.35 C ATOM 605 CG2 VAL A 66 -15.461 -4.409 13.507 1.00 8.99 C ATOM 0 H VAL A 66 -12.404 -5.861 11.579 1.00 7.81 H new ATOM 0 HA VAL A 66 -14.455 -4.004 11.211 1.00 8.51 H new ATOM 0 HB VAL A 66 -14.610 -5.938 12.284 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -13.796 -6.238 14.592 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -12.475 -6.134 13.404 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -12.853 -4.736 14.439 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -15.903 -5.098 14.227 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -15.139 -3.503 14.021 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -16.201 -4.152 12.749 1.00 8.99 H new ATOM 615 N ALA A 67 -12.050 -3.000 13.229 1.00 8.55 N ATOM 616 CA ALA A 67 -11.411 -1.820 13.780 1.00 8.92 C ATOM 617 C ALA A 67 -10.001 -1.704 13.215 1.00 9.09 C ATOM 618 O ALA A 67 -9.106 -2.450 13.612 1.00 9.14 O ATOM 619 CB ALA A 67 -11.384 -1.886 15.300 1.00 9.16 C ATOM 0 H ALA A 67 -11.526 -3.863 13.373 1.00 8.55 H new ATOM 0 HA ALA A 67 -11.981 -0.935 13.499 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -10.901 -0.992 15.694 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -12.404 -1.945 15.680 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -10.828 -2.769 15.616 1.00 9.16 H new ATOM 625 N PRO A 68 -9.796 -0.795 12.253 1.00 9.42 N ATOM 626 CA PRO A 68 -8.512 -0.632 11.572 1.00 9.81 C ATOM 627 C PRO A 68 -7.458 0.036 12.448 1.00 10.00 C ATOM 628 O PRO A 68 -7.226 1.243 12.354 1.00 10.26 O ATOM 629 CB PRO A 68 -8.838 0.258 10.361 1.00 10.35 C ATOM 630 CG PRO A 68 -10.328 0.378 10.334 1.00 10.29 C ATOM 631 CD PRO A 68 -10.794 0.149 11.742 1.00 9.70 C ATOM 0 HA PRO A 68 -8.086 -1.599 11.302 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -8.368 1.237 10.457 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -8.464 -0.185 9.438 1.00 10.35 H new ATOM 0 HG2 PRO A 68 -10.633 1.362 9.979 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -10.765 -0.355 9.656 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -10.812 1.073 12.319 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -11.801 -0.267 11.774 1.00 9.70 H new ATOM 639 N CYS A 69 -6.844 -0.746 13.322 1.00 10.09 N ATOM 640 CA CYS A 69 -5.752 -0.261 14.147 1.00 10.43 C ATOM 641 C CYS A 69 -4.627 -1.287 14.174 1.00 10.35 C ATOM 642 O CYS A 69 -4.886 -2.493 14.185 1.00 10.58 O ATOM 643 CB CYS A 69 -6.220 0.042 15.572 1.00 10.98 C ATOM 644 SG CYS A 69 -7.464 1.369 15.688 1.00 11.49 S ATOM 0 H CYS A 69 -7.086 -1.725 13.478 1.00 10.09 H new ATOM 0 HA CYS A 69 -5.386 0.668 13.710 1.00 10.43 H new ATOM 0 HB2 CYS A 69 -6.635 -0.868 16.007 1.00 10.98 H new ATOM 0 HB3 CYS A 69 -5.355 0.318 16.175 1.00 10.98 H new ATOM 649 N THR A 70 -3.389 -0.798 14.192 1.00 10.23 N ATOM 650 CA THR A 70 -2.203 -1.648 14.120 1.00 10.31 C ATOM 651 C THR A 70 -2.272 -2.548 12.882 1.00 10.28 C ATOM 652 O THR A 70 -2.118 -3.770 12.955 1.00 10.36 O ATOM 653 CB THR A 70 -2.060 -2.383 15.214 1.00 10.47 C ATOM 654 OG1 THR A 70 -2.419 -1.610 16.377 1.00 10.95 O ATOM 655 CG2 THR A 70 -0.623 -2.863 15.365 1.00 10.51 C ATOM 0 H THR A 70 -3.180 0.198 14.257 1.00 10.23 H new ATOM 0 HA THR A 70 -1.332 -0.997 14.043 1.00 10.31 H new ATOM 0 HB THR A 70 -2.716 -3.249 15.124 1.00 10.47 H new ATOM 0 HG1 THR A 70 -2.313 -2.160 17.181 1.00 10.95 H new ATOM 0 HG21 THR A 70 -0.533 -3.464 16.270 1.00 10.51 H new ATOM 0 HG22 THR A 70 -0.348 -3.467 14.500 1.00 10.51 H new ATOM 0 HG23 THR A 70 0.043 -2.003 15.433 1.00 10.51 H new ATOM 663 N ASP A 71 -2.536 -1.923 11.746 1.00 10.38 N ATOM 664 CA ASP A 71 -2.647 -2.630 10.479 1.00 10.55 C ATOM 665 C ASP A 71 -2.037 -1.794 9.365 1.00 10.46 C ATOM 666 O ASP A 71 -2.531 -0.709 9.048 1.00 10.82 O ATOM 667 CB ASP A 71 -4.116 -2.942 10.168 1.00 11.00 C ATOM 668 CG ASP A 71 -4.300 -3.618 8.824 1.00 11.33 C ATOM 669 OD1 ASP A 71 -4.871 -2.991 7.912 1.00 11.56 O ATOM 670 OD2 ASP A 71 -3.848 -4.773 8.667 1.00 11.54 O ATOM 0 H ASP A 71 -2.679 -0.916 11.675 1.00 10.38 H new ATOM 0 HA ASP A 71 -2.103 -3.572 10.552 1.00 10.55 H new ATOM 0 HB2 ASP A 71 -4.520 -3.584 10.951 1.00 11.00 H new ATOM 0 HB3 ASP A 71 -4.691 -2.016 10.186 1.00 11.00 H new ATOM 675 N SER A 72 -0.933 -2.275 8.808 1.00 10.16 N ATOM 676 CA SER A 72 -0.223 -1.556 7.758 1.00 10.18 C ATOM 677 C SER A 72 0.618 -2.512 6.915 1.00 9.81 C ATOM 678 O SER A 72 1.488 -3.213 7.437 1.00 9.67 O ATOM 679 CB SER A 72 0.683 -0.485 8.369 1.00 10.51 C ATOM 680 OG SER A 72 -0.061 0.420 9.170 1.00 10.96 O ATOM 0 H SER A 72 -0.508 -3.165 9.068 1.00 10.16 H new ATOM 0 HA SER A 72 -0.965 -1.081 7.116 1.00 10.18 H new ATOM 0 HB2 SER A 72 1.455 -0.960 8.974 1.00 10.51 H new ATOM 0 HB3 SER A 72 1.191 0.061 7.575 1.00 10.51 H new ATOM 0 HG SER A 72 0.304 1.324 9.068 1.00 10.96 H new ATOM 686 N PRO A 73 0.361 -2.565 5.602 1.00 9.90 N ATOM 687 CA PRO A 73 1.137 -3.367 4.672 1.00 9.80 C ATOM 688 C PRO A 73 2.362 -2.614 4.161 1.00 9.46 C ATOM 689 O PRO A 73 2.290 -1.902 3.159 1.00 9.61 O ATOM 690 CB PRO A 73 0.157 -3.646 3.522 1.00 10.31 C ATOM 691 CG PRO A 73 -1.061 -2.808 3.790 1.00 10.68 C ATOM 692 CD PRO A 73 -0.716 -1.862 4.910 1.00 10.39 C ATOM 0 HA PRO A 73 1.524 -4.274 5.137 1.00 9.80 H new ATOM 0 HB2 PRO A 73 0.602 -3.388 2.561 1.00 10.31 H new ATOM 0 HB3 PRO A 73 -0.101 -4.704 3.480 1.00 10.31 H new ATOM 0 HG2 PRO A 73 -1.352 -2.256 2.896 1.00 10.68 H new ATOM 0 HG3 PRO A 73 -1.907 -3.437 4.065 1.00 10.68 H new ATOM 0 HD2 PRO A 73 -0.391 -0.892 4.535 1.00 10.39 H new ATOM 0 HD3 PRO A 73 -1.568 -1.681 5.565 1.00 10.39 H new ATOM 700 N GLU A 74 3.471 -2.760 4.886 1.00 9.22 N ATOM 701 CA GLU A 74 4.745 -2.117 4.547 1.00 9.06 C ATOM 702 C GLU A 74 4.678 -0.591 4.683 1.00 8.23 C ATOM 703 O GLU A 74 5.166 -0.030 5.668 1.00 8.21 O ATOM 704 CB GLU A 74 5.212 -2.500 3.135 1.00 9.74 C ATOM 705 CG GLU A 74 5.503 -3.984 2.964 1.00 10.53 C ATOM 706 CD GLU A 74 6.574 -4.484 3.911 1.00 11.29 C ATOM 707 OE1 GLU A 74 7.770 -4.221 3.664 1.00 11.57 O ATOM 708 OE2 GLU A 74 6.225 -5.147 4.909 1.00 11.76 O ATOM 0 H GLU A 74 3.513 -3.331 5.730 1.00 9.22 H new ATOM 0 HA GLU A 74 5.475 -2.486 5.267 1.00 9.06 H new ATOM 0 HB2 GLU A 74 4.447 -2.205 2.417 1.00 9.74 H new ATOM 0 HB3 GLU A 74 6.111 -1.933 2.894 1.00 9.74 H new ATOM 0 HG2 GLU A 74 4.586 -4.551 3.127 1.00 10.53 H new ATOM 0 HG3 GLU A 74 5.816 -4.173 1.937 1.00 10.53 H new ATOM 715 N PHE A 75 4.066 0.074 3.706 1.00 7.77 N ATOM 716 CA PHE A 75 4.059 1.533 3.655 1.00 7.11 C ATOM 717 C PHE A 75 2.668 2.076 3.369 1.00 6.04 C ATOM 718 O PHE A 75 1.866 1.442 2.689 1.00 6.09 O ATOM 719 CB PHE A 75 5.043 2.036 2.596 1.00 7.64 C ATOM 720 CG PHE A 75 6.473 1.690 2.894 1.00 8.33 C ATOM 721 CD1 PHE A 75 7.142 0.743 2.138 1.00 8.82 C ATOM 722 CD2 PHE A 75 7.146 2.312 3.933 1.00 8.70 C ATOM 723 CE1 PHE A 75 8.456 0.421 2.414 1.00 9.64 C ATOM 724 CE2 PHE A 75 8.459 1.994 4.214 1.00 9.54 C ATOM 725 CZ PHE A 75 9.117 1.048 3.453 1.00 10.00 C ATOM 0 H PHE A 75 3.568 -0.376 2.938 1.00 7.77 H new ATOM 0 HA PHE A 75 4.369 1.897 4.635 1.00 7.11 H new ATOM 0 HB2 PHE A 75 4.770 1.615 1.629 1.00 7.64 H new ATOM 0 HB3 PHE A 75 4.950 3.119 2.510 1.00 7.64 H new ATOM 0 HD1 PHE A 75 6.631 0.251 1.324 1.00 8.82 H new ATOM 0 HD2 PHE A 75 6.637 3.054 4.530 1.00 8.70 H new ATOM 0 HE1 PHE A 75 8.967 -0.321 1.818 1.00 9.64 H new ATOM 0 HE2 PHE A 75 8.972 2.484 5.028 1.00 9.54 H new ATOM 0 HZ PHE A 75 10.145 0.799 3.669 1.00 10.00 H new ATOM 735 N TYR A 76 2.400 3.255 3.904 1.00 5.40 N ATOM 736 CA TYR A 76 1.127 3.927 3.711 1.00 4.59 C ATOM 737 C TYR A 76 1.347 5.432 3.639 1.00 3.79 C ATOM 738 O TYR A 76 2.023 6.011 4.488 1.00 3.92 O ATOM 739 CB TYR A 76 0.145 3.570 4.841 1.00 4.75 C ATOM 740 CG TYR A 76 0.701 3.757 6.240 1.00 5.22 C ATOM 741 CD1 TYR A 76 1.495 2.783 6.833 1.00 5.71 C ATOM 742 CD2 TYR A 76 0.436 4.914 6.963 1.00 5.53 C ATOM 743 CE1 TYR A 76 2.006 2.957 8.107 1.00 6.42 C ATOM 744 CE2 TYR A 76 0.942 5.095 8.237 1.00 6.25 C ATOM 745 CZ TYR A 76 1.714 4.090 8.812 1.00 6.65 C ATOM 746 OH TYR A 76 2.239 4.292 10.072 1.00 7.53 O ATOM 0 H TYR A 76 3.059 3.773 4.485 1.00 5.40 H new ATOM 0 HA TYR A 76 0.688 3.590 2.772 1.00 4.59 H new ATOM 0 HB2 TYR A 76 -0.750 4.183 4.734 1.00 4.75 H new ATOM 0 HB3 TYR A 76 -0.164 2.531 4.722 1.00 4.75 H new ATOM 0 HD1 TYR A 76 1.717 1.876 6.291 1.00 5.71 H new ATOM 0 HD2 TYR A 76 -0.177 5.686 6.521 1.00 5.53 H new ATOM 0 HE1 TYR A 76 2.636 2.197 8.544 1.00 6.42 H new ATOM 0 HE2 TYR A 76 0.740 6.007 8.780 1.00 6.25 H new ATOM 0 HH TYR A 76 1.925 5.152 10.423 1.00 7.53 H new ATOM 756 N GLY A 77 0.799 6.061 2.616 1.00 3.20 N ATOM 757 CA GLY A 77 0.969 7.488 2.449 1.00 2.71 C ATOM 758 C GLY A 77 -0.107 8.260 3.169 1.00 1.94 C ATOM 759 O GLY A 77 -1.134 8.580 2.573 1.00 2.44 O ATOM 0 H GLY A 77 0.237 5.609 1.895 1.00 3.20 H new ATOM 0 HA2 GLY A 77 1.947 7.786 2.827 1.00 2.71 H new ATOM 0 HA3 GLY A 77 0.948 7.736 1.388 1.00 2.71 H new ATOM 763 N LYS A 78 0.135 8.539 4.458 1.00 1.39 N ATOM 764 CA LYS A 78 -0.822 9.233 5.329 1.00 1.29 C ATOM 765 C LYS A 78 -2.242 8.713 5.115 1.00 1.03 C ATOM 766 O LYS A 78 -3.195 9.483 5.015 1.00 1.02 O ATOM 767 CB LYS A 78 -0.755 10.764 5.143 1.00 2.10 C ATOM 768 CG LYS A 78 -1.130 11.272 3.754 1.00 2.61 C ATOM 769 CD LYS A 78 -1.101 12.787 3.696 1.00 3.18 C ATOM 770 CE LYS A 78 -1.483 13.304 2.319 1.00 3.78 C ATOM 771 NZ LYS A 78 -1.557 14.789 2.293 1.00 4.14 N ATOM 0 H LYS A 78 1.005 8.288 4.927 1.00 1.39 H new ATOM 0 HA LYS A 78 -0.539 9.017 6.359 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.417 11.231 5.873 1.00 2.10 H new ATOM 0 HB3 LYS A 78 0.257 11.097 5.372 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -0.439 10.864 3.016 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -2.125 10.915 3.490 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -1.786 13.193 4.440 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -0.103 13.142 3.954 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -0.752 12.963 1.586 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -2.446 12.886 2.027 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -1.787 15.108 1.330 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -2.296 15.111 2.950 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -0.640 15.187 2.580 1.00 4.14 H new ATOM 785 N PHE A 79 -2.373 7.387 5.108 1.00 0.95 N ATOM 786 CA PHE A 79 -3.620 6.720 4.736 1.00 0.77 C ATOM 787 C PHE A 79 -4.818 7.290 5.490 1.00 0.70 C ATOM 788 O PHE A 79 -5.917 7.408 4.914 1.00 0.64 O ATOM 789 CB PHE A 79 -3.520 5.210 4.992 1.00 0.88 C ATOM 790 CG PHE A 79 -4.629 4.425 4.344 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.699 3.946 5.085 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.599 4.176 2.985 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.716 3.233 4.475 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.610 3.466 2.371 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.670 2.994 3.115 1.00 0.82 C ATOM 0 H PHE A 79 -1.620 6.746 5.359 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.774 6.899 3.672 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.562 4.848 4.620 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.535 5.028 6.067 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.739 4.131 6.148 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.772 4.543 2.395 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -7.545 2.864 5.061 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.571 3.280 1.308 1.00 0.84 H new ATOM 0 HZ PHE A 79 -7.463 2.439 2.636 1.00 0.82 H new ATOM 805 N LYS A 80 -4.590 7.685 6.754 1.00 0.82 N ATOM 806 CA LYS A 80 -5.673 8.171 7.604 1.00 0.89 C ATOM 807 C LYS A 80 -6.218 9.493 7.071 1.00 0.81 C ATOM 808 O LYS A 80 -7.430 9.721 7.051 1.00 0.87 O ATOM 809 CB LYS A 80 -5.190 8.338 9.048 1.00 1.12 C ATOM 810 CG LYS A 80 -6.278 8.807 10.000 1.00 1.66 C ATOM 811 CD LYS A 80 -5.773 8.891 11.429 1.00 2.17 C ATOM 812 CE LYS A 80 -6.852 9.393 12.377 1.00 2.87 C ATOM 813 NZ LYS A 80 -8.052 8.517 12.376 1.00 3.48 N ATOM 0 H LYS A 80 -3.673 7.675 7.200 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.476 7.434 7.591 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -4.793 7.387 9.402 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -4.368 9.053 9.067 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.642 9.785 9.684 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -7.124 8.121 9.952 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -5.432 7.908 11.753 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -4.911 9.557 11.472 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -6.447 9.451 13.387 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -7.142 10.404 12.092 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -8.662 8.763 13.182 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -8.579 8.651 11.490 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -7.756 7.523 12.456 1.00 3.48 H new ATOM 827 N GLU A 81 -5.314 10.345 6.612 1.00 0.78 N ATOM 828 CA GLU A 81 -5.692 11.632 6.059 1.00 0.78 C ATOM 829 C GLU A 81 -6.164 11.439 4.630 1.00 0.62 C ATOM 830 O GLU A 81 -7.047 12.141 4.159 1.00 0.64 O ATOM 831 CB GLU A 81 -4.509 12.605 6.094 1.00 0.96 C ATOM 832 CG GLU A 81 -4.877 14.022 5.683 1.00 1.53 C ATOM 833 CD GLU A 81 -3.665 14.901 5.459 1.00 2.31 C ATOM 834 OE1 GLU A 81 -3.285 15.122 4.290 1.00 3.07 O ATOM 835 OE2 GLU A 81 -3.075 15.365 6.452 1.00 2.63 O ATOM 0 H GLU A 81 -4.310 10.165 6.613 1.00 0.78 H new ATOM 0 HA GLU A 81 -6.497 12.055 6.659 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.094 12.624 7.102 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -3.725 12.235 5.433 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -5.470 13.988 4.769 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -5.506 14.467 6.454 1.00 1.53 H new ATOM 842 N GLY A 82 -5.588 10.448 3.967 1.00 0.55 N ATOM 843 CA GLY A 82 -5.918 10.159 2.602 1.00 0.47 C ATOM 844 C GLY A 82 -7.381 9.834 2.432 1.00 0.46 C ATOM 845 O GLY A 82 -8.041 10.315 1.508 1.00 0.49 O ATOM 0 H GLY A 82 -4.883 9.830 4.368 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.662 11.015 1.978 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.317 9.319 2.254 1.00 0.47 H new ATOM 849 N VAL A 83 -7.880 9.025 3.353 1.00 0.51 N ATOM 850 CA VAL A 83 -9.274 8.608 3.353 1.00 0.61 C ATOM 851 C VAL A 83 -10.191 9.807 3.578 1.00 0.70 C ATOM 852 O VAL A 83 -11.128 10.043 2.812 1.00 0.79 O ATOM 853 CB VAL A 83 -9.494 7.717 4.307 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.971 7.330 4.379 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.640 6.479 4.104 1.00 0.69 C ATOM 0 H VAL A 83 -7.331 8.639 4.121 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.488 8.161 2.382 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.216 8.181 5.253 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.117 6.597 5.172 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.570 8.216 4.589 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.281 6.900 3.427 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.841 5.764 4.902 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.879 6.026 3.142 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.586 6.757 4.123 1.00 0.69 H new ATOM 865 N ALA A 84 -9.880 10.595 4.600 1.00 0.76 N ATOM 866 CA ALA A 84 -10.766 11.672 5.024 1.00 0.94 C ATOM 867 C ALA A 84 -10.609 12.898 4.143 1.00 0.88 C ATOM 868 O ALA A 84 -11.520 13.718 4.037 1.00 1.07 O ATOM 869 CB ALA A 84 -10.522 12.026 6.483 1.00 1.12 C ATOM 0 H ALA A 84 -9.024 10.509 5.149 1.00 0.76 H new ATOM 0 HA ALA A 84 -11.791 11.317 4.921 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.194 12.832 6.779 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -10.708 11.151 7.106 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.489 12.349 6.611 1.00 1.12 H new ATOM 875 N SER A 85 -9.452 13.025 3.522 1.00 0.76 N ATOM 876 CA SER A 85 -9.239 14.082 2.543 1.00 0.84 C ATOM 877 C SER A 85 -10.148 13.852 1.338 1.00 0.94 C ATOM 878 O SER A 85 -10.626 14.796 0.710 1.00 1.22 O ATOM 879 CB SER A 85 -7.771 14.130 2.105 1.00 1.19 C ATOM 880 OG SER A 85 -7.522 15.216 1.229 1.00 1.88 O ATOM 0 H SER A 85 -8.648 12.416 3.674 1.00 0.76 H new ATOM 0 HA SER A 85 -9.484 15.041 3.000 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.132 14.217 2.983 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.508 13.195 1.610 1.00 1.19 H new ATOM 0 HG SER A 85 -6.577 15.218 0.970 1.00 1.88 H new ATOM 886 N GLY A 86 -10.395 12.581 1.033 1.00 0.96 N ATOM 887 CA GLY A 86 -11.266 12.238 -0.069 1.00 1.46 C ATOM 888 C GLY A 86 -10.528 12.235 -1.385 1.00 1.21 C ATOM 889 O GLY A 86 -11.137 12.269 -2.455 1.00 1.66 O ATOM 0 H GLY A 86 -10.004 11.783 1.533 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.703 11.255 0.105 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.090 12.949 -0.116 1.00 1.46 H new ATOM 893 N ASN A 87 -9.208 12.199 -1.302 1.00 0.66 N ATOM 894 CA ASN A 87 -8.372 12.200 -2.494 1.00 0.67 C ATOM 895 C ASN A 87 -6.962 11.725 -2.168 1.00 0.52 C ATOM 896 O ASN A 87 -5.981 12.426 -2.393 1.00 0.72 O ATOM 897 CB ASN A 87 -8.356 13.588 -3.178 1.00 0.95 C ATOM 898 CG ASN A 87 -7.760 14.708 -2.329 1.00 1.40 C ATOM 899 OD1 ASN A 87 -6.565 14.998 -2.405 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.590 15.360 -1.532 1.00 1.72 N ATOM 0 H ASN A 87 -8.692 12.169 -0.423 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.807 11.497 -3.204 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.791 13.514 -4.107 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.377 13.858 -3.447 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.246 16.129 -0.956 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -9.574 15.094 -1.493 1.00 1.72 H new ATOM 907 N LEU A 88 -6.875 10.522 -1.620 1.00 0.40 N ATOM 908 CA LEU A 88 -5.593 9.896 -1.354 1.00 0.32 C ATOM 909 C LEU A 88 -4.851 9.606 -2.648 1.00 0.30 C ATOM 910 O LEU A 88 -4.905 8.499 -3.168 1.00 0.34 O ATOM 911 CB LEU A 88 -5.783 8.602 -0.588 1.00 0.37 C ATOM 912 CG LEU A 88 -4.676 8.303 0.393 1.00 0.42 C ATOM 913 CD1 LEU A 88 -5.035 7.109 1.259 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.343 8.071 -0.302 1.00 0.48 C ATOM 0 H LEU A 88 -7.682 9.960 -1.351 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.004 10.590 -0.755 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.730 8.646 -0.050 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.858 7.779 -1.298 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.565 9.181 1.029 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.224 6.910 1.959 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.949 7.323 1.814 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -5.191 6.235 0.627 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.576 7.859 0.443 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.430 7.225 -0.983 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.066 8.963 -0.865 1.00 0.48 H new ATOM 926 N ASN A 89 -4.203 10.618 -3.174 1.00 0.32 N ATOM 927 CA ASN A 89 -3.374 10.467 -4.350 1.00 0.34 C ATOM 928 C ASN A 89 -2.166 11.385 -4.233 1.00 0.40 C ATOM 929 O ASN A 89 -2.259 12.587 -4.496 1.00 0.50 O ATOM 930 CB ASN A 89 -4.205 10.788 -5.604 1.00 0.41 C ATOM 931 CG ASN A 89 -3.369 10.919 -6.865 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.355 10.242 -7.041 1.00 2.01 O ATOM 933 ND2 ASN A 89 -3.791 11.805 -7.754 1.00 1.62 N ATOM 0 H ASN A 89 -4.234 11.567 -2.802 1.00 0.32 H new ATOM 0 HA ASN A 89 -3.016 9.441 -4.433 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.948 10.003 -5.749 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.751 11.717 -5.441 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -3.271 11.945 -8.620 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -4.636 12.347 -7.572 1.00 1.62 H new ATOM 940 N THR A 90 -1.032 10.828 -3.803 1.00 0.39 N ATOM 941 CA THR A 90 0.184 11.603 -3.623 1.00 0.50 C ATOM 942 C THR A 90 1.402 10.698 -3.781 1.00 0.55 C ATOM 943 O THR A 90 1.299 9.477 -3.634 1.00 0.69 O ATOM 944 CB THR A 90 0.225 12.175 -2.413 1.00 0.68 C ATOM 945 OG1 THR A 90 -1.045 12.764 -2.083 1.00 1.67 O ATOM 946 CG2 THR A 90 1.293 13.256 -2.323 1.00 1.22 C ATOM 0 H THR A 90 -0.937 9.839 -3.574 1.00 0.39 H new ATOM 0 HA THR A 90 0.193 12.387 -4.381 1.00 0.50 H new ATOM 0 HB THR A 90 0.468 11.381 -1.707 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.994 13.175 -1.195 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.288 13.690 -1.323 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.271 12.819 -2.523 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.086 14.034 -3.058 1.00 1.22 H new ATOM 954 N MET A 91 2.523 11.278 -4.174 1.00 0.72 N ATOM 955 CA MET A 91 3.796 10.584 -4.099 1.00 1.00 C ATOM 956 C MET A 91 4.561 11.065 -2.875 1.00 0.88 C ATOM 957 O MET A 91 4.914 12.241 -2.760 1.00 0.92 O ATOM 958 CB MET A 91 4.637 10.773 -5.367 1.00 1.53 C ATOM 959 CG MET A 91 4.903 12.225 -5.736 1.00 2.33 C ATOM 960 SD MET A 91 6.235 12.402 -6.941 1.00 3.24 S ATOM 961 CE MET A 91 7.644 11.871 -5.967 1.00 3.94 C ATOM 0 H MET A 91 2.577 12.226 -4.547 1.00 0.72 H new ATOM 0 HA MET A 91 3.593 9.517 -4.013 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.592 10.264 -5.234 1.00 1.53 H new ATOM 0 HB3 MET A 91 4.130 10.286 -6.200 1.00 1.53 H new ATOM 0 HG2 MET A 91 3.992 12.666 -6.140 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.156 12.784 -4.835 1.00 2.33 H new ATOM 0 HE1 MET A 91 8.553 12.318 -6.369 1.00 3.94 H new ATOM 0 HE2 MET A 91 7.511 12.187 -4.932 1.00 3.94 H new ATOM 0 HE3 MET A 91 7.726 10.785 -6.007 1.00 3.94 H new ATOM 971 N PHE A 92 4.790 10.157 -1.949 1.00 0.98 N ATOM 972 CA PHE A 92 5.493 10.487 -0.726 1.00 1.01 C ATOM 973 C PHE A 92 6.815 9.741 -0.673 1.00 0.90 C ATOM 974 O PHE A 92 6.838 8.521 -0.534 1.00 0.85 O ATOM 975 CB PHE A 92 4.630 10.133 0.489 1.00 1.24 C ATOM 976 CG PHE A 92 5.233 10.536 1.805 1.00 1.49 C ATOM 977 CD1 PHE A 92 5.166 11.850 2.238 1.00 1.94 C ATOM 978 CD2 PHE A 92 5.855 9.599 2.616 1.00 1.58 C ATOM 979 CE1 PHE A 92 5.709 12.223 3.454 1.00 2.47 C ATOM 980 CE2 PHE A 92 6.401 9.965 3.830 1.00 2.01 C ATOM 981 CZ PHE A 92 6.328 11.278 4.250 1.00 2.46 C ATOM 0 H PHE A 92 4.499 9.182 -2.020 1.00 0.98 H new ATOM 0 HA PHE A 92 5.694 11.558 -0.708 1.00 1.01 H new ATOM 0 HB2 PHE A 92 3.658 10.614 0.384 1.00 1.24 H new ATOM 0 HB3 PHE A 92 4.454 9.057 0.496 1.00 1.24 H new ATOM 0 HD1 PHE A 92 4.684 12.592 1.619 1.00 1.94 H new ATOM 0 HD2 PHE A 92 5.913 8.570 2.294 1.00 1.58 H new ATOM 0 HE1 PHE A 92 5.649 13.251 3.781 1.00 2.47 H new ATOM 0 HE2 PHE A 92 6.885 9.225 4.450 1.00 2.01 H new ATOM 0 HZ PHE A 92 6.754 11.566 5.200 1.00 2.46 H new ATOM 991 N GLU A 93 7.912 10.465 -0.811 1.00 0.98 N ATOM 992 CA GLU A 93 9.225 9.849 -0.749 1.00 0.97 C ATOM 993 C GLU A 93 9.893 10.149 0.589 1.00 1.21 C ATOM 994 O GLU A 93 10.205 11.305 0.902 1.00 1.50 O ATOM 995 CB GLU A 93 10.105 10.307 -1.919 1.00 1.18 C ATOM 996 CG GLU A 93 10.206 11.815 -2.078 1.00 1.33 C ATOM 997 CD GLU A 93 11.114 12.213 -3.221 1.00 1.57 C ATOM 998 OE1 GLU A 93 12.324 12.405 -2.984 1.00 1.97 O ATOM 999 OE2 GLU A 93 10.619 12.332 -4.360 1.00 1.92 O ATOM 0 H GLU A 93 7.920 11.473 -0.966 1.00 0.98 H new ATOM 0 HA GLU A 93 9.099 8.770 -0.833 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.107 9.900 -1.784 1.00 1.18 H new ATOM 0 HB3 GLU A 93 9.710 9.882 -2.842 1.00 1.18 H new ATOM 0 HG2 GLU A 93 9.211 12.228 -2.247 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.579 12.251 -1.152 1.00 1.33 H new ATOM 1006 N TYR A 94 10.101 9.098 1.375 1.00 1.23 N ATOM 1007 CA TYR A 94 10.669 9.237 2.706 1.00 1.60 C ATOM 1008 C TYR A 94 12.082 8.675 2.735 1.00 1.67 C ATOM 1009 O TYR A 94 12.342 7.600 2.195 1.00 1.62 O ATOM 1010 CB TYR A 94 9.789 8.516 3.735 1.00 1.88 C ATOM 1011 CG TYR A 94 10.288 8.627 5.163 1.00 2.23 C ATOM 1012 CD1 TYR A 94 11.009 7.595 5.750 1.00 2.63 C ATOM 1013 CD2 TYR A 94 10.040 9.765 5.920 1.00 2.62 C ATOM 1014 CE1 TYR A 94 11.466 7.691 7.050 1.00 3.18 C ATOM 1015 CE2 TYR A 94 10.495 9.868 7.224 1.00 3.33 C ATOM 1016 CZ TYR A 94 11.208 8.829 7.783 1.00 3.51 C ATOM 1017 OH TYR A 94 11.663 8.925 9.080 1.00 4.29 O ATOM 0 H TYR A 94 9.883 8.138 1.109 1.00 1.23 H new ATOM 0 HA TYR A 94 10.709 10.296 2.962 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.779 8.923 3.682 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.723 7.462 3.466 1.00 1.88 H new ATOM 0 HD1 TYR A 94 11.216 6.701 5.180 1.00 2.63 H new ATOM 0 HD2 TYR A 94 9.484 10.582 5.485 1.00 2.62 H new ATOM 0 HE1 TYR A 94 12.023 6.877 7.490 1.00 3.18 H new ATOM 0 HE2 TYR A 94 10.292 10.758 7.800 1.00 3.33 H new ATOM 0 HH TYR A 94 11.398 9.790 9.456 1.00 4.29 H new ATOM 1027 N THR A 95 12.992 9.405 3.360 1.00 1.95 N ATOM 1028 CA THR A 95 14.373 8.978 3.454 1.00 2.19 C ATOM 1029 C THR A 95 14.631 8.293 4.788 1.00 2.45 C ATOM 1030 O THR A 95 14.625 8.933 5.840 1.00 2.63 O ATOM 1031 CB THR A 95 15.188 10.008 3.332 1.00 2.45 C ATOM 1032 OG1 THR A 95 14.832 10.764 2.163 1.00 2.89 O ATOM 1033 CG2 THR A 95 16.640 9.563 3.236 1.00 2.83 C ATOM 0 H THR A 95 12.795 10.299 3.810 1.00 1.95 H new ATOM 0 HA THR A 95 14.560 8.273 2.644 1.00 2.19 H new ATOM 0 HB THR A 95 15.087 10.629 4.222 1.00 2.45 H new ATOM 0 HG1 THR A 95 15.436 11.530 2.073 1.00 2.89 H new ATOM 0 HG21 THR A 95 17.283 10.438 3.136 1.00 2.83 H new ATOM 0 HG22 THR A 95 16.912 9.013 4.137 1.00 2.83 H new ATOM 0 HG23 THR A 95 16.766 8.919 2.366 1.00 2.83 H new ATOM 1041 N PHE A 96 14.845 6.989 4.745 1.00 2.62 N ATOM 1042 CA PHE A 96 15.165 6.240 5.945 1.00 3.02 C ATOM 1043 C PHE A 96 16.616 6.458 6.350 1.00 3.39 C ATOM 1044 O PHE A 96 17.492 5.651 6.043 1.00 3.84 O ATOM 1045 CB PHE A 96 14.879 4.748 5.759 1.00 3.29 C ATOM 1046 CG PHE A 96 13.422 4.400 5.877 1.00 3.71 C ATOM 1047 CD1 PHE A 96 12.858 4.105 7.109 1.00 4.45 C ATOM 1048 CD2 PHE A 96 12.614 4.362 4.749 1.00 3.78 C ATOM 1049 CE1 PHE A 96 11.517 3.781 7.211 1.00 5.24 C ATOM 1050 CE2 PHE A 96 11.275 4.040 4.848 1.00 4.50 C ATOM 1051 CZ PHE A 96 10.725 3.762 6.112 1.00 5.25 C ATOM 0 H PHE A 96 14.803 6.429 3.893 1.00 2.62 H new ATOM 0 HA PHE A 96 14.525 6.610 6.746 1.00 3.02 H new ATOM 0 HB2 PHE A 96 15.241 4.436 4.780 1.00 3.29 H new ATOM 0 HB3 PHE A 96 15.441 4.183 6.502 1.00 3.29 H new ATOM 0 HD1 PHE A 96 13.472 4.128 7.997 1.00 4.45 H new ATOM 0 HD2 PHE A 96 13.038 4.587 3.782 1.00 3.78 H new ATOM 0 HE1 PHE A 96 11.097 3.541 8.177 1.00 5.24 H new ATOM 0 HE2 PHE A 96 10.656 4.002 3.964 1.00 4.50 H new ATOM 0 HZ PHE A 96 9.674 3.534 6.206 1.00 5.25 H new ATOM 1061 N ASP A 97 16.866 7.589 6.989 1.00 3.71 N ATOM 1062 CA ASP A 97 18.158 7.855 7.594 1.00 4.37 C ATOM 1063 C ASP A 97 18.045 7.607 9.087 1.00 4.59 C ATOM 1064 O ASP A 97 17.201 8.203 9.758 1.00 4.90 O ATOM 1065 CB ASP A 97 18.610 9.288 7.315 1.00 5.00 C ATOM 1066 CG ASP A 97 20.004 9.558 7.842 1.00 5.62 C ATOM 1067 OD1 ASP A 97 20.979 9.042 7.263 1.00 5.98 O ATOM 1068 OD2 ASP A 97 20.133 10.298 8.841 1.00 6.06 O ATOM 0 H ASP A 97 16.186 8.341 7.102 1.00 3.71 H new ATOM 0 HA ASP A 97 18.908 7.192 7.163 1.00 4.37 H new ATOM 0 HB2 ASP A 97 18.587 9.472 6.241 1.00 5.00 H new ATOM 0 HB3 ASP A 97 17.908 9.985 7.773 1.00 5.00 H new ATOM 1073 N TYR A 98 18.881 6.723 9.602 1.00 4.86 N ATOM 1074 CA TYR A 98 18.679 6.185 10.935 1.00 5.39 C ATOM 1075 C TYR A 98 20.002 5.697 11.513 1.00 5.39 C ATOM 1076 O TYR A 98 20.552 6.290 12.441 1.00 5.65 O ATOM 1077 CB TYR A 98 17.674 5.029 10.830 1.00 6.08 C ATOM 1078 CG TYR A 98 17.053 4.581 12.132 1.00 6.83 C ATOM 1079 CD1 TYR A 98 17.479 3.416 12.759 1.00 7.42 C ATOM 1080 CD2 TYR A 98 16.070 5.339 12.754 1.00 7.24 C ATOM 1081 CE1 TYR A 98 16.941 3.022 13.966 1.00 8.35 C ATOM 1082 CE2 TYR A 98 15.523 4.948 13.960 1.00 8.16 C ATOM 1083 CZ TYR A 98 15.860 3.726 14.490 1.00 8.70 C ATOM 1084 OH TYR A 98 15.442 3.402 15.771 1.00 9.77 O ATOM 0 H TYR A 98 19.704 6.363 9.119 1.00 4.86 H new ATOM 0 HA TYR A 98 18.292 6.956 11.601 1.00 5.39 H new ATOM 0 HB2 TYR A 98 16.875 5.327 10.151 1.00 6.08 H new ATOM 0 HB3 TYR A 98 18.176 4.175 10.376 1.00 6.08 H new ATOM 0 HD1 TYR A 98 18.243 2.810 12.294 1.00 7.42 H new ATOM 0 HD2 TYR A 98 15.727 6.250 12.286 1.00 7.24 H new ATOM 0 HE1 TYR A 98 17.353 2.178 14.498 1.00 8.35 H new ATOM 0 HE2 TYR A 98 14.836 5.597 14.482 1.00 8.16 H new ATOM 0 HH TYR A 98 14.680 3.967 16.019 1.00 9.77 H new ATOM 1094 N GLN A 99 20.509 4.623 10.931 1.00 5.51 N ATOM 1095 CA GLN A 99 21.770 4.028 11.344 1.00 5.83 C ATOM 1096 C GLN A 99 22.294 3.167 10.196 1.00 5.62 C ATOM 1097 O GLN A 99 22.963 2.155 10.395 1.00 5.86 O ATOM 1098 CB GLN A 99 21.563 3.188 12.612 1.00 6.51 C ATOM 1099 CG GLN A 99 22.860 2.751 13.278 1.00 7.10 C ATOM 1100 CD GLN A 99 23.675 3.914 13.816 1.00 7.79 C ATOM 1101 OE1 GLN A 99 23.130 4.940 14.228 1.00 8.08 O ATOM 1102 NE2 GLN A 99 24.987 3.766 13.797 1.00 8.34 N ATOM 0 H GLN A 99 20.057 4.137 10.156 1.00 5.51 H new ATOM 0 HA GLN A 99 22.499 4.804 11.576 1.00 5.83 H new ATOM 0 HB2 GLN A 99 20.975 3.764 13.326 1.00 6.51 H new ATOM 0 HB3 GLN A 99 20.979 2.303 12.359 1.00 6.51 H new ATOM 0 HG2 GLN A 99 22.629 2.068 14.095 1.00 7.10 H new ATOM 0 HG3 GLN A 99 23.462 2.196 12.559 1.00 7.10 H new ATOM 0 HE21 GLN A 99 25.398 2.900 13.448 1.00 8.34 H new ATOM 0 HE22 GLN A 99 25.590 4.518 14.132 1.00 8.34 H new ATOM 1111 N MET A 100 21.986 3.610 8.984 1.00 5.51 N ATOM 1112 CA MET A 100 22.284 2.861 7.768 1.00 5.61 C ATOM 1113 C MET A 100 22.487 3.858 6.624 1.00 5.03 C ATOM 1114 O MET A 100 22.742 5.034 6.873 1.00 5.20 O ATOM 1115 CB MET A 100 21.117 1.902 7.471 1.00 6.33 C ATOM 1116 CG MET A 100 21.434 0.811 6.458 1.00 6.86 C ATOM 1117 SD MET A 100 20.024 -0.266 6.136 1.00 7.54 S ATOM 1118 CE MET A 100 20.706 -1.339 4.875 1.00 8.19 C ATOM 0 H MET A 100 21.521 4.502 8.815 1.00 5.51 H new ATOM 0 HA MET A 100 23.192 2.269 7.885 1.00 5.61 H new ATOM 0 HB2 MET A 100 20.803 1.433 8.404 1.00 6.33 H new ATOM 0 HB3 MET A 100 20.270 2.483 7.106 1.00 6.33 H new ATOM 0 HG2 MET A 100 21.757 1.270 5.524 1.00 6.86 H new ATOM 0 HG3 MET A 100 22.268 0.212 6.823 1.00 6.86 H new ATOM 0 HE1 MET A 100 19.953 -2.065 4.569 1.00 8.19 H new ATOM 0 HE2 MET A 100 21.006 -0.743 4.013 1.00 8.19 H new ATOM 0 HE3 MET A 100 21.574 -1.863 5.274 1.00 8.19 H new ATOM 1128 N THR A 101 22.389 3.411 5.385 1.00 4.63 N ATOM 1129 CA THR A 101 22.451 4.318 4.261 1.00 4.25 C ATOM 1130 C THR A 101 21.100 4.998 4.045 1.00 3.46 C ATOM 1131 O THR A 101 20.064 4.469 4.459 1.00 3.35 O ATOM 1132 CB THR A 101 22.823 3.688 3.166 1.00 4.65 C ATOM 1133 OG1 THR A 101 22.367 2.325 3.209 1.00 5.10 O ATOM 1134 CG2 THR A 101 24.332 3.725 2.995 1.00 5.07 C ATOM 0 H THR A 101 22.267 2.430 5.136 1.00 4.63 H new ATOM 0 HA THR A 101 23.196 5.081 4.487 1.00 4.25 H new ATOM 0 HB THR A 101 22.374 4.196 2.312 1.00 4.65 H new ATOM 0 HG1 THR A 101 23.077 1.754 3.570 1.00 5.10 H new ATOM 0 HG21 THR A 101 24.608 3.197 2.082 1.00 5.07 H new ATOM 0 HG22 THR A 101 24.665 4.761 2.930 1.00 5.07 H new ATOM 0 HG23 THR A 101 24.807 3.244 3.850 1.00 5.07 H new ATOM 1142 N PRO A 102 21.090 6.214 3.473 1.00 3.42 N ATOM 1143 CA PRO A 102 19.850 6.950 3.219 1.00 3.17 C ATOM 1144 C PRO A 102 18.939 6.211 2.249 1.00 2.61 C ATOM 1145 O PRO A 102 19.093 6.306 1.030 1.00 2.79 O ATOM 1146 CB PRO A 102 20.319 8.280 2.616 1.00 3.96 C ATOM 1147 CG PRO A 102 21.762 8.387 2.980 1.00 4.51 C ATOM 1148 CD PRO A 102 22.274 6.977 3.052 1.00 4.18 C ATOM 0 HA PRO A 102 19.262 7.078 4.128 1.00 3.17 H new ATOM 0 HB2 PRO A 102 20.184 8.291 1.534 1.00 3.96 H new ATOM 0 HB3 PRO A 102 19.748 9.117 3.018 1.00 3.96 H new ATOM 0 HG2 PRO A 102 22.311 8.964 2.236 1.00 4.51 H new ATOM 0 HG3 PRO A 102 21.887 8.897 3.935 1.00 4.51 H new ATOM 0 HD2 PRO A 102 22.652 6.636 2.088 1.00 4.18 H new ATOM 0 HD3 PRO A 102 23.091 6.881 3.767 1.00 4.18 H new ATOM 1156 N THR A 103 18.009 5.446 2.793 1.00 2.26 N ATOM 1157 CA THR A 103 17.103 4.670 1.972 1.00 1.91 C ATOM 1158 C THR A 103 15.842 5.468 1.661 1.00 1.65 C ATOM 1159 O THR A 103 14.908 5.517 2.461 1.00 1.74 O ATOM 1160 CB THR A 103 16.778 3.551 2.588 1.00 2.12 C ATOM 1161 OG1 THR A 103 17.969 2.912 3.074 1.00 2.59 O ATOM 1162 CG2 THR A 103 16.031 2.600 1.664 1.00 2.29 C ATOM 0 H THR A 103 17.863 5.347 3.798 1.00 2.26 H new ATOM 0 HA THR A 103 17.608 4.433 1.036 1.00 1.91 H new ATOM 0 HB THR A 103 16.118 3.800 3.419 1.00 2.12 H new ATOM 0 HG1 THR A 103 17.730 2.080 3.534 1.00 2.59 H new ATOM 0 HG21 THR A 103 15.779 1.689 2.206 1.00 2.29 H new ATOM 0 HG22 THR A 103 15.116 3.077 1.313 1.00 2.29 H new ATOM 0 HG23 THR A 103 16.662 2.352 0.810 1.00 2.29 H new ATOM 1170 N LYS A 104 15.813 6.078 0.486 1.00 1.52 N ATOM 1171 CA LYS A 104 14.644 6.822 0.046 1.00 1.37 C ATOM 1172 C LYS A 104 13.631 5.881 -0.585 1.00 1.18 C ATOM 1173 O LYS A 104 13.913 5.262 -1.617 1.00 1.26 O ATOM 1174 CB LYS A 104 15.026 7.907 -0.966 1.00 1.53 C ATOM 1175 CG LYS A 104 13.830 8.696 -1.493 1.00 1.64 C ATOM 1176 CD LYS A 104 14.149 9.416 -2.794 1.00 2.24 C ATOM 1177 CE LYS A 104 15.161 10.537 -2.605 1.00 2.60 C ATOM 1178 NZ LYS A 104 14.603 11.668 -1.814 1.00 3.12 N ATOM 0 H LYS A 104 16.586 6.072 -0.180 1.00 1.52 H new ATOM 0 HA LYS A 104 14.206 7.301 0.922 1.00 1.37 H new ATOM 0 HB2 LYS A 104 15.729 8.597 -0.499 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.544 7.443 -1.806 1.00 1.53 H new ATOM 0 HG2 LYS A 104 12.990 8.019 -1.650 1.00 1.64 H new ATOM 0 HG3 LYS A 104 13.517 9.423 -0.744 1.00 1.64 H new ATOM 0 HD2 LYS A 104 14.537 8.699 -3.517 1.00 2.24 H new ATOM 0 HD3 LYS A 104 13.230 9.827 -3.213 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.045 10.145 -2.102 1.00 2.60 H new ATOM 0 HE3 LYS A 104 15.484 10.902 -3.580 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 15.078 12.551 -2.088 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 13.583 11.751 -1.999 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 14.757 11.492 -0.801 1.00 3.12 H new ATOM 1192 N VAL A 105 12.471 5.753 0.044 1.00 1.04 N ATOM 1193 CA VAL A 105 11.377 5.016 -0.547 1.00 0.90 C ATOM 1194 C VAL A 105 10.364 5.967 -1.145 1.00 0.72 C ATOM 1195 O VAL A 105 10.346 7.152 -0.821 1.00 0.75 O ATOM 1196 CB VAL A 105 10.775 4.205 0.309 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.724 3.097 0.753 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.224 4.957 1.512 1.00 1.11 C ATOM 0 H VAL A 105 12.269 6.151 0.961 1.00 1.04 H new ATOM 0 HA VAL A 105 11.812 4.393 -1.329 1.00 0.90 H new ATOM 0 HB VAL A 105 9.927 3.754 -0.207 1.00 1.00 H new ATOM 0 HG11 VAL A 105 11.212 2.440 1.456 1.00 1.23 H new ATOM 0 HG12 VAL A 105 12.043 2.521 -0.116 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.596 3.537 1.236 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.738 4.254 2.189 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.040 5.458 2.033 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.499 5.698 1.177 1.00 1.11 H new ATOM 1208 N LYS A 106 9.565 5.463 -2.058 1.00 0.64 N ATOM 1209 CA LYS A 106 8.539 6.271 -2.690 1.00 0.59 C ATOM 1210 C LYS A 106 7.189 5.596 -2.589 1.00 0.53 C ATOM 1211 O LYS A 106 7.026 4.455 -3.013 1.00 0.68 O ATOM 1212 CB LYS A 106 8.861 6.540 -4.164 1.00 0.79 C ATOM 1213 CG LYS A 106 10.049 7.463 -4.397 1.00 1.39 C ATOM 1214 CD LYS A 106 9.987 8.077 -5.789 1.00 1.61 C ATOM 1215 CE LYS A 106 11.161 9.003 -6.060 1.00 2.08 C ATOM 1216 NZ LYS A 106 12.394 8.256 -6.414 1.00 2.36 N ATOM 0 H LYS A 106 9.604 4.497 -2.382 1.00 0.64 H new ATOM 0 HA LYS A 106 8.510 7.224 -2.161 1.00 0.59 H new ATOM 0 HB2 LYS A 106 9.055 5.588 -4.659 1.00 0.79 H new ATOM 0 HB3 LYS A 106 7.982 6.974 -4.641 1.00 0.79 H new ATOM 0 HG2 LYS A 106 10.056 8.253 -3.646 1.00 1.39 H new ATOM 0 HG3 LYS A 106 10.978 6.905 -4.281 1.00 1.39 H new ATOM 0 HD2 LYS A 106 9.974 7.282 -6.535 1.00 1.61 H new ATOM 0 HD3 LYS A 106 9.055 8.632 -5.898 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.905 9.684 -6.872 1.00 2.08 H new ATOM 0 HE3 LYS A 106 11.350 9.615 -5.178 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 13.062 8.292 -5.618 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 12.153 7.265 -6.619 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 12.832 8.687 -7.253 1.00 2.36 H new ATOM 1230 N VAL A 107 6.231 6.297 -2.009 1.00 0.47 N ATOM 1231 CA VAL A 107 4.862 5.815 -1.975 1.00 0.49 C ATOM 1232 C VAL A 107 4.047 6.564 -2.996 1.00 0.45 C ATOM 1233 O VAL A 107 3.664 7.710 -2.764 1.00 0.74 O ATOM 1234 CB VAL A 107 4.270 6.004 -0.798 1.00 0.60 C ATOM 1235 CG1 VAL A 107 3.095 5.043 -0.643 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.239 5.871 0.368 1.00 1.11 C ATOM 0 H VAL A 107 6.375 7.200 -1.556 1.00 0.47 H new ATOM 0 HA VAL A 107 4.909 4.745 -2.176 1.00 0.49 H new ATOM 0 HB VAL A 107 3.899 7.029 -0.778 1.00 0.60 H new ATOM 0 HG11 VAL A 107 2.617 5.205 0.323 1.00 0.99 H new ATOM 0 HG12 VAL A 107 2.372 5.220 -1.440 1.00 0.99 H new ATOM 0 HG13 VAL A 107 3.455 4.016 -0.702 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.706 6.034 1.305 1.00 1.11 H new ATOM 0 HG22 VAL A 107 5.674 4.872 0.367 1.00 1.11 H new ATOM 0 HG23 VAL A 107 6.032 6.612 0.268 1.00 1.11 H new ATOM 1246 N HIS A 108 3.767 5.941 -4.121 1.00 0.30 N ATOM 1247 CA HIS A 108 2.797 6.517 -5.016 1.00 0.31 C ATOM 1248 C HIS A 108 1.475 5.872 -4.683 1.00 0.28 C ATOM 1249 O HIS A 108 1.209 4.732 -5.052 1.00 0.31 O ATOM 1250 CB HIS A 108 3.168 6.303 -6.488 1.00 0.43 C ATOM 1251 CG HIS A 108 2.464 7.247 -7.422 1.00 0.56 C ATOM 1252 ND1 HIS A 108 3.063 7.784 -8.537 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.207 7.754 -7.398 1.00 0.71 C ATOM 1254 CE1 HIS A 108 2.214 8.579 -9.156 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.078 8.579 -8.487 1.00 0.80 N ATOM 0 H HIS A 108 4.185 5.063 -4.428 1.00 0.30 H new ATOM 0 HA HIS A 108 2.753 7.598 -4.884 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.245 6.423 -6.605 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.929 5.278 -6.770 1.00 0.43 H new ATOM 0 HD2 HIS A 108 0.448 7.547 -6.659 1.00 0.71 H new ATOM 0 HE1 HIS A 108 2.415 9.136 -10.059 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.241 9.105 -8.738 1.00 0.80 H new ATOM 1264 N MET A 109 0.657 6.608 -3.972 1.00 0.31 N ATOM 1265 CA MET A 109 -0.586 6.080 -3.465 1.00 0.33 C ATOM 1266 C MET A 109 -1.712 6.910 -4.031 1.00 0.37 C ATOM 1267 O MET A 109 -1.797 8.101 -3.750 1.00 0.55 O ATOM 1268 CB MET A 109 -0.573 6.123 -1.930 1.00 0.43 C ATOM 1269 CG MET A 109 -1.514 5.129 -1.272 1.00 0.77 C ATOM 1270 SD MET A 109 -1.225 4.964 0.501 1.00 1.28 S ATOM 1271 CE MET A 109 -2.172 3.485 0.846 1.00 2.22 C ATOM 0 H MET A 109 0.832 7.583 -3.729 1.00 0.31 H new ATOM 0 HA MET A 109 -0.722 5.041 -3.765 1.00 0.33 H new ATOM 0 HB2 MET A 109 0.442 5.932 -1.581 1.00 0.43 H new ATOM 0 HB3 MET A 109 -0.838 7.129 -1.603 1.00 0.43 H new ATOM 0 HG2 MET A 109 -2.544 5.444 -1.440 1.00 0.77 H new ATOM 0 HG3 MET A 109 -1.397 4.155 -1.747 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.276 3.363 1.924 1.00 2.22 H new ATOM 0 HE2 MET A 109 -3.160 3.572 0.394 1.00 2.22 H new ATOM 0 HE3 MET A 109 -1.658 2.618 0.431 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.554 6.304 -4.852 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.512 7.079 -5.608 1.00 0.30 C ATOM 1283 C LYS A 110 -4.877 6.443 -5.536 1.00 0.24 C ATOM 1284 O LYS A 110 -5.012 5.228 -5.654 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.067 7.233 -7.073 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.053 5.943 -7.879 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.568 6.192 -9.301 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.647 4.934 -10.149 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.046 5.133 -11.495 1.00 1.73 N ATOM 0 H LYS A 110 -2.591 5.297 -5.008 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.566 8.074 -5.166 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.730 7.944 -7.566 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.066 7.665 -7.090 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.405 5.213 -7.393 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -4.055 5.514 -7.903 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.169 6.978 -9.758 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -1.539 6.551 -9.277 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.133 4.120 -9.639 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.689 4.634 -10.258 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.120 4.252 -12.042 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -2.553 5.893 -11.993 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -1.044 5.394 -11.393 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.881 7.266 -5.316 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.237 6.819 -5.326 1.00 0.22 C ATOM 1305 C LYS A 111 -7.575 6.166 -6.656 1.00 0.22 C ATOM 1306 O LYS A 111 -7.559 6.808 -7.707 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.113 8.021 -5.064 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.600 7.736 -5.129 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.408 8.988 -4.842 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.901 8.747 -5.013 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.430 7.776 -4.017 1.00 1.78 N ATOM 0 H LYS A 111 -5.768 8.262 -5.126 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.400 6.066 -4.555 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.875 8.422 -4.079 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.872 8.797 -5.791 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.857 7.352 -6.116 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.857 6.960 -4.408 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.208 9.325 -3.825 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.090 9.788 -5.511 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.434 9.693 -4.915 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.095 8.375 -6.019 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.456 7.912 -3.911 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.241 6.807 -4.343 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.964 7.930 -3.100 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.844 4.871 -6.586 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.103 4.061 -7.758 1.00 0.26 C ATOM 1327 C ALA A 112 -9.320 4.575 -8.508 1.00 0.38 C ATOM 1328 O ALA A 112 -10.284 5.042 -7.898 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.321 2.612 -7.355 1.00 0.33 C ATOM 0 H ALA A 112 -7.888 4.353 -5.708 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.236 4.124 -8.416 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.515 2.012 -8.244 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.430 2.237 -6.851 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.174 2.547 -6.680 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.283 4.466 -9.828 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.402 4.893 -10.657 1.00 0.64 C ATOM 1337 C LEU A 113 -11.614 3.995 -10.422 1.00 0.76 C ATOM 1338 O LEU A 113 -12.727 4.313 -10.839 1.00 0.96 O ATOM 1339 CB LEU A 113 -10.015 4.887 -12.140 1.00 0.76 C ATOM 1340 CG LEU A 113 -9.060 5.999 -12.596 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.582 7.364 -12.177 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -7.651 5.777 -12.064 1.00 2.39 C ATOM 0 H LEU A 113 -8.492 4.086 -10.348 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.663 5.913 -10.375 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.556 3.926 -12.370 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.927 4.955 -12.732 1.00 0.76 H new ATOM 0 HG LEU A 113 -9.013 5.966 -13.684 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -8.889 8.137 -12.511 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -10.560 7.534 -12.628 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -9.672 7.402 -11.091 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -7.002 6.583 -12.406 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -7.671 5.765 -10.974 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -7.270 4.824 -12.430 1.00 2.39 H new ATOM 1354 N SER A 114 -11.383 2.868 -9.756 1.00 0.73 N ATOM 1355 CA SER A 114 -12.457 1.985 -9.337 1.00 0.92 C ATOM 1356 C SER A 114 -13.391 2.711 -8.368 1.00 0.93 C ATOM 1357 O SER A 114 -14.594 2.454 -8.340 1.00 1.27 O ATOM 1358 CB SER A 114 -11.872 0.735 -8.678 1.00 1.04 C ATOM 1359 OG SER A 114 -10.945 0.096 -9.540 1.00 1.66 O ATOM 0 H SER A 114 -10.451 2.546 -9.495 1.00 0.73 H new ATOM 0 HA SER A 114 -13.034 1.686 -10.212 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.379 1.008 -7.745 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.675 0.043 -8.424 1.00 1.04 H new ATOM 0 HG SER A 114 -10.582 -0.700 -9.098 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.833 3.632 -7.589 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.640 4.408 -6.673 1.00 0.79 C ATOM 1367 C GLY A 115 -13.096 4.410 -5.260 1.00 0.78 C ATOM 1368 O GLY A 115 -12.172 5.165 -4.944 1.00 1.52 O ATOM 0 H GLY A 115 -11.837 3.853 -7.578 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.703 5.435 -7.033 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.655 4.010 -6.665 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.635 3.533 -4.426 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.349 3.544 -2.993 1.00 0.85 C ATOM 1374 C ASP A 116 -12.124 2.697 -2.672 1.00 0.80 C ATOM 1375 O ASP A 116 -12.131 1.873 -1.757 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.564 3.035 -2.213 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.827 3.801 -2.553 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -16.727 3.221 -3.198 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -15.928 4.990 -2.177 1.00 2.79 O ATOM 0 H ASP A 116 -14.279 2.797 -4.717 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.137 4.571 -2.695 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.714 1.977 -2.428 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.368 3.118 -1.144 1.00 1.25 H new ATOM 1384 N SER A 117 -11.064 2.927 -3.419 1.00 0.42 N ATOM 1385 CA SER A 117 -9.831 2.184 -3.271 1.00 0.29 C ATOM 1386 C SER A 117 -8.644 3.078 -3.594 1.00 0.22 C ATOM 1387 O SER A 117 -8.801 4.112 -4.237 1.00 0.25 O ATOM 1388 CB SER A 117 -9.861 0.958 -4.174 1.00 0.34 C ATOM 1389 OG SER A 117 -10.455 1.257 -5.425 1.00 0.44 O ATOM 0 H SER A 117 -11.034 3.638 -4.149 1.00 0.42 H new ATOM 0 HA SER A 117 -9.727 1.847 -2.240 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.846 0.592 -4.329 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.417 0.158 -3.686 1.00 0.34 H new ATOM 0 HG SER A 117 -11.141 0.588 -5.629 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.472 2.700 -3.114 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.252 3.470 -3.343 1.00 0.19 C ATOM 1397 C TYR A 118 -5.084 2.535 -3.677 1.00 0.20 C ATOM 1398 O TYR A 118 -4.936 1.478 -3.066 1.00 0.25 O ATOM 1399 CB TYR A 118 -5.921 4.309 -2.102 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.087 5.094 -1.560 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.792 4.636 -0.470 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.474 6.287 -2.143 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -8.863 5.346 0.040 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.546 7.008 -1.644 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.231 6.551 -0.572 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.301 7.243 -0.045 1.00 0.42 O ATOM 0 H TYR A 118 -7.335 1.856 -2.557 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.413 4.138 -4.189 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.547 3.649 -1.320 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.115 5.000 -2.349 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.503 3.705 -0.005 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -6.933 6.662 -2.999 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.407 4.977 0.897 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.835 7.937 -2.112 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.449 8.061 -0.563 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.266 2.910 -4.658 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.137 2.094 -5.056 1.00 0.22 C ATOM 1418 C TRP A 119 -1.926 2.383 -4.200 1.00 0.25 C ATOM 1419 O TRP A 119 -1.839 3.418 -3.559 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.751 2.369 -6.501 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.724 1.874 -7.510 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.971 2.352 -7.763 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.501 0.808 -8.424 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.557 1.613 -8.768 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.666 0.657 -9.189 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.424 -0.048 -8.656 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.780 -0.319 -10.175 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.534 -1.007 -9.628 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.706 -1.144 -10.380 1.00 0.42 C ATOM 0 H TRP A 119 -4.370 3.775 -5.188 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.444 1.055 -4.935 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.629 3.444 -6.632 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.781 1.912 -6.697 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.433 3.185 -7.254 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.497 1.753 -9.138 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.517 0.044 -8.078 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.683 -0.422 -10.758 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.702 -1.669 -9.817 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.765 -1.914 -11.135 1.00 0.42 H new ATOM 1440 N VAL A 120 -0.988 1.462 -4.240 1.00 0.28 N ATOM 1441 CA VAL A 120 0.270 1.571 -3.521 1.00 0.32 C ATOM 1442 C VAL A 120 1.420 1.167 -4.442 1.00 0.34 C ATOM 1443 O VAL A 120 1.708 -0.022 -4.613 1.00 0.43 O ATOM 1444 CB VAL A 120 0.287 0.777 -2.454 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.590 0.945 -1.675 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.904 1.011 -1.539 1.00 0.62 C ATOM 0 H VAL A 120 -1.076 0.601 -4.781 1.00 0.28 H new ATOM 0 HA VAL A 120 0.381 2.605 -3.195 1.00 0.32 H new ATOM 0 HB VAL A 120 0.219 -0.247 -2.822 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.582 0.286 -0.807 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.433 0.689 -2.317 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.686 1.979 -1.345 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.843 0.338 -0.683 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.897 2.044 -1.190 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.827 0.819 -2.087 1.00 0.62 H new ATOM 1456 N PHE A 121 2.074 2.146 -5.039 1.00 0.34 N ATOM 1457 CA PHE A 121 3.253 1.877 -5.846 1.00 0.42 C ATOM 1458 C PHE A 121 4.488 2.238 -5.036 1.00 0.40 C ATOM 1459 O PHE A 121 4.789 3.418 -4.861 1.00 0.49 O ATOM 1460 CB PHE A 121 3.260 2.700 -7.131 1.00 0.61 C ATOM 1461 CG PHE A 121 2.051 2.535 -8.004 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.942 3.344 -7.829 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.014 1.560 -8.987 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.180 3.183 -8.616 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.896 1.397 -9.778 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.168 2.249 -9.649 1.00 1.45 C ATOM 0 H PHE A 121 1.812 3.130 -4.982 1.00 0.34 H new ATOM 0 HA PHE A 121 3.247 0.821 -6.116 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.357 3.753 -6.868 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.145 2.433 -7.709 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.955 4.110 -7.068 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.871 0.920 -9.136 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.062 3.778 -8.432 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.860 0.595 -10.501 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.993 2.197 -10.344 1.00 1.45 H new ATOM 1476 N VAL A 122 5.183 1.239 -4.527 1.00 0.49 N ATOM 1477 CA VAL A 122 6.370 1.490 -3.728 1.00 0.61 C ATOM 1478 C VAL A 122 7.624 1.473 -4.607 1.00 0.73 C ATOM 1479 O VAL A 122 7.644 0.833 -5.659 1.00 0.95 O ATOM 1480 CB VAL A 122 6.469 0.621 -2.719 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.745 -0.797 -3.216 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.507 1.055 -1.692 1.00 1.52 C ATOM 0 H VAL A 122 4.950 0.254 -4.650 1.00 0.49 H new ATOM 0 HA VAL A 122 6.280 2.484 -3.289 1.00 0.61 H new ATOM 0 HB VAL A 122 5.500 0.612 -2.219 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.819 -1.473 -2.364 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.932 -1.119 -3.866 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.682 -0.812 -3.773 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.554 0.319 -0.889 1.00 1.52 H new ATOM 0 HG22 VAL A 122 8.483 1.132 -2.171 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.228 2.025 -1.280 1.00 1.52 H new ATOM 1492 N LYS A 123 8.617 2.268 -4.226 1.00 0.76 N ATOM 1493 CA LYS A 123 9.897 2.297 -4.910 1.00 0.97 C ATOM 1494 C LYS A 123 10.995 2.659 -3.943 1.00 1.04 C ATOM 1495 O LYS A 123 10.738 3.167 -2.857 1.00 1.02 O ATOM 1496 CB LYS A 123 9.913 3.313 -6.061 1.00 1.11 C ATOM 1497 CG LYS A 123 9.340 2.797 -7.370 1.00 1.66 C ATOM 1498 CD LYS A 123 9.709 3.712 -8.532 1.00 2.03 C ATOM 1499 CE LYS A 123 11.223 3.804 -8.712 1.00 2.74 C ATOM 1500 NZ LYS A 123 11.608 4.706 -9.831 1.00 3.45 N ATOM 0 H LYS A 123 8.554 2.909 -3.435 1.00 0.76 H new ATOM 0 HA LYS A 123 10.058 1.300 -5.320 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.351 4.196 -5.757 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.941 3.633 -6.231 1.00 1.11 H new ATOM 0 HG2 LYS A 123 9.714 1.791 -7.562 1.00 1.66 H new ATOM 0 HG3 LYS A 123 8.255 2.724 -7.291 1.00 1.66 H new ATOM 0 HD2 LYS A 123 9.254 3.338 -9.449 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.301 4.707 -8.357 1.00 2.03 H new ATOM 0 HE2 LYS A 123 11.675 4.163 -7.787 1.00 2.74 H new ATOM 0 HE3 LYS A 123 11.625 2.808 -8.897 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 12.644 4.735 -9.913 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 11.200 4.351 -10.719 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 11.249 5.664 -9.644 1.00 3.45 H new ATOM 1514 N ARG A 124 12.212 2.372 -4.345 1.00 1.23 N ATOM 1515 CA ARG A 124 13.386 2.838 -3.634 1.00 1.40 C ATOM 1516 C ARG A 124 14.278 3.596 -4.604 1.00 1.63 C ATOM 1517 O ARG A 124 14.344 3.242 -5.782 1.00 1.81 O ATOM 1518 CB ARG A 124 14.137 1.674 -2.980 1.00 1.65 C ATOM 1519 CG ARG A 124 14.471 0.539 -3.932 1.00 1.97 C ATOM 1520 CD ARG A 124 15.173 -0.606 -3.217 1.00 2.31 C ATOM 1521 NE ARG A 124 14.361 -1.168 -2.133 1.00 2.83 N ATOM 1522 CZ ARG A 124 14.442 -2.432 -1.714 1.00 3.38 C ATOM 1523 NH1 ARG A 124 15.288 -3.276 -2.296 1.00 3.50 N ATOM 1524 NH2 ARG A 124 13.673 -2.851 -0.714 1.00 4.23 N ATOM 0 H ARG A 124 12.418 1.811 -5.171 1.00 1.23 H new ATOM 0 HA ARG A 124 13.080 3.506 -2.829 1.00 1.40 H new ATOM 0 HB2 ARG A 124 15.062 2.052 -2.543 1.00 1.65 H new ATOM 0 HB3 ARG A 124 13.535 1.281 -2.161 1.00 1.65 H new ATOM 0 HG2 ARG A 124 13.556 0.172 -4.396 1.00 1.97 H new ATOM 0 HG3 ARG A 124 15.108 0.912 -4.734 1.00 1.97 H new ATOM 0 HD2 ARG A 124 15.408 -1.391 -3.936 1.00 2.31 H new ATOM 0 HD3 ARG A 124 16.121 -0.251 -2.812 1.00 2.31 H new ATOM 0 HE ARG A 124 13.692 -0.553 -1.670 1.00 2.83 H new ATOM 0 HH11 ARG A 124 15.878 -2.958 -3.065 1.00 3.50 H new ATOM 0 HH12 ARG A 124 15.348 -4.242 -1.973 1.00 3.50 H new ATOM 0 HH21 ARG A 124 13.021 -2.206 -0.267 1.00 4.23 H new ATOM 0 HH22 ARG A 124 13.735 -3.817 -0.394 1.00 4.23 H new ATOM 1538 N VAL A 125 14.932 4.642 -4.099 1.00 1.80 N ATOM 1539 CA VAL A 125 15.761 5.542 -4.908 1.00 2.18 C ATOM 1540 C VAL A 125 14.878 6.471 -5.746 1.00 2.76 C ATOM 1541 O VAL A 125 14.763 7.661 -5.379 1.00 3.34 O ATOM 1542 CB VAL A 125 16.620 4.889 -5.689 1.00 2.48 C ATOM 1543 CG1 VAL A 125 17.435 5.860 -6.538 1.00 3.01 C ATOM 1544 CG2 VAL A 125 17.549 4.006 -4.864 1.00 3.14 C ATOM 1545 OXT VAL A 125 14.271 6.012 -6.736 1.00 3.27 O ATOM 0 H VAL A 125 14.903 4.892 -3.111 1.00 1.80 H new ATOM 0 HA VAL A 125 16.354 6.136 -4.213 1.00 2.18 H new ATOM 0 HB VAL A 125 16.039 4.251 -6.355 1.00 2.48 H new ATOM 0 HG11 VAL A 125 18.128 5.301 -7.166 1.00 3.01 H new ATOM 0 HG12 VAL A 125 16.764 6.444 -7.168 1.00 3.01 H new ATOM 0 HG13 VAL A 125 17.996 6.531 -5.887 1.00 3.01 H new ATOM 0 HG21 VAL A 125 18.239 3.485 -5.527 1.00 3.14 H new ATOM 0 HG22 VAL A 125 18.113 4.624 -4.166 1.00 3.14 H new ATOM 0 HG23 VAL A 125 16.959 3.277 -4.308 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 -7.079 1.989 17.354 1.00 12.02 C HETATM 1557 O1 HC4 A 169 -6.435 1.304 18.132 1.00 12.16 O HETATM 1558 C2 HC4 A 169 -7.633 3.406 17.636 1.00 12.51 C HETATM 1559 C3 HC4 A 169 -7.492 4.125 18.770 1.00 13.15 C HETATM 1560 C1' HC4 A 169 -6.696 3.874 19.979 1.00 13.58 C HETATM 1561 C2' HC4 A 169 -6.718 4.824 20.998 1.00 14.40 C HETATM 1562 C3' HC4 A 169 -6.012 4.643 22.171 1.00 14.99 C HETATM 1563 C4' HC4 A 169 -5.269 3.501 22.350 1.00 14.81 C HETATM 1564 C5' HC4 A 169 -5.231 2.542 21.370 1.00 14.03 C HETATM 1565 C6' HC4 A 169 -5.943 2.729 20.201 1.00 13.40 C HETATM 1566 O4' HC4 A 169 -4.563 3.317 23.515 1.00 15.56 O HETATM 0 HO4' HC4 A 169 -4.093 2.458 23.481 1.00 15.56 H new HETATM 0 H6' HC4 A 169 -5.913 1.957 19.432 1.00 13.40 H new HETATM 0 H5' HC4 A 169 -4.642 1.636 21.513 1.00 14.03 H new HETATM 0 H3' HC4 A 169 -6.044 5.403 22.952 1.00 14.99 H new HETATM 0 H3 HC4 A 169 -8.067 5.050 18.792 1.00 13.15 H new HETATM 0 H2' HC4 A 169 -7.307 5.732 20.866 1.00 14.40 H new HETATM 0 H2 HC4 A 169 -8.199 3.875 16.831 1.00 12.51 H new